CID 6912913

51821-82-0

Structural Information

Molecular Formula
C21H41NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCN(C)CC(=O)O
InChI
InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24/h10-11H,3-9,12-20H2,1-2H3,(H,23,24)/b11-10-
InChIKey
BMGPYWJNOIMZNC-KHPPLWFESA-N
Compound name
2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

755
Patents

339.31372 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.32100 193.1
[M+Na]+ 362.30294 198.8
[M+NH4]+ 357.34754 197.5
[M+K]+ 378.27688 191.1
[M-H]- 338.30644 191.3
[M+Na-2H]- 360.28839 192.1
[M]+ 339.31317 192.9
[M]- 339.31427 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe