CID 5879967

71832-73-0

Structural Information

Molecular Formula
C21H39NO3
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)O
InChI
InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10+
InChIKey
DIOYAVUHUXAUPX-ZHACJKMWSA-N
Compound name
2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

10764
Patents

353.293 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.30028 194.9
[M+Na]+ 376.28222 199.8
[M+NH4]+ 371.32682 209.1
[M+K]+ 392.25616 193.5
[M-H]- 352.28572 192.1
[M+Na-2H]- 374.26767 193.0
[M]+ 353.29245 194.2
[M]- 353.29355 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

patents stripe