CID 71433203

N-icosanoylglycinate

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)
InChIKey
MUNNIYAZGQGMQR-UHFFFAOYSA-N
Compound name
2-(icosanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

369.32428 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.33156 202.4
[M+Na]+ 392.31350 201.7
[M-H]- 368.31700 198.3
[M+NH4]+ 387.35810 213.6
[M+K]+ 408.28744 197.6
[M+H-H2O]+ 352.32154 194.5
[M+HCOO]- 414.32248 219.5
[M+CH3COO]- 428.33813 222.5
[M+Na-2H]- 390.29895 198.3
[M]+ 369.32373 208.5
[M]- 369.32483 208.5
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