CID 57348979

1-propanaminium,n,n,n-trimethyl-3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)amino]-,iodide (1:1)

Structural Information

Molecular Formula
C14H16F15N2O
SMILES
C[N+](C)(C)CCCNC(C(C(C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H16F15N2O/c1-31(2,3)6-4-5-30-14(28,29)13(26,27)12(24,25)11(22,23)10(20,21)9(18,19)8(16,17)7(15)32/h30H,4-6H2,1-3H3/q+1
InChIKey
SIXGWDZLDUUIHP-UHFFFAOYSA-N
Compound name
trimethyl-[3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-oxooctyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

513.1023 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.10958 198.7
[M+Na]+ 536.09152 206.2
[M-H]- 512.09502 209.3
[M+NH4]+ 531.13612 208.3
[M+K]+ 552.06546 211.6
[M+H-H2O]+ 496.09956 183.4
[M+HCOO]- 558.10050 217.8
[M+CH3COO]- 572.11615 242.3
[M+Na-2H]- 534.07697 195.1
[M]+ 513.10175 194.2
[M]- 513.10285 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.