CID 139595257

N,n,n-trimethyl-3-[methyl[(perfluoropentyl)sulfonyl]amino]-1-propanaminium

Structural Information

Molecular Formula
C12H18F11N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H18F11N2O2S/c1-24(6-5-7-25(2,3)4)28(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h5-7H2,1-4H3/q+1
InChIKey
HLRMXWITAUKISG-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

463.09134 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.09862 195.1
[M+Na]+ 486.08056 202.8
[M-H]- 462.08406 203.3
[M+NH4]+ 481.12516 205.6
[M+K]+ 502.05450 205.6
[M+H-H2O]+ 446.08860 181.7
[M+HCOO]- 508.08954 216.3
[M+CH3COO]- 522.10519 232.1
[M+Na-2H]- 484.06601 190.8
[M]+ 463.09079 195.1
[M]- 463.09189 195.1
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.