CID 13848430

Stearaminopropionic acid

Structural Information

Molecular Formula
C21H43NO2
SMILES
CCCCCCCCCCCCCCCCCCNCCC(=O)O
InChI
InChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21(23)24/h22H,2-20H2,1H3,(H,23,24)
InChIKey
BKTMEKOLXCZRFW-UHFFFAOYSA-N
Compound name
3-(octadecylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

556
Patents

341.32938 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.33666 195.7
[M+Na]+ 364.31860 195.3
[M-H]- 340.32210 191.6
[M+NH4]+ 359.36320 208.2
[M+K]+ 380.29254 191.0
[M+H-H2O]+ 324.32664 187.9
[M+HCOO]- 386.32758 213.6
[M+CH3COO]- 400.34323 218.3
[M+Na-2H]- 362.30405 193.3
[M]+ 341.32883 201.4
[M]- 341.32993 201.4
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

patents stripe