CID 3021063

N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

Structural Information

Molecular Formula
C11H9F15N2O
SMILES
C(CN)CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F15N2O/c12-5(13,4(29)28-3-1-2-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-3,27H2,(H,28,29)
InChIKey
YIQVOMZDSOSAQY-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

470.04755 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.05483 164.6
[M+Na]+ 493.03677 173.2
[M-H]- 469.04027 173.3
[M+NH4]+ 488.08137 171.2
[M+K]+ 509.01071 177.6
[M+H-H2O]+ 453.04481 153.8
[M+HCOO]- 515.04575 180.1
[M+CH3COO]- 529.06140 236.7
[M+Na-2H]- 491.02222 163.3
[M]+ 470.04700 158.3
[M]- 470.04810 158.3
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.