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]+ 370.331556 202.4
[M+Na]+ 392.313498 201.7
[M-H]- 368.317004 198.3
[M+NH4]+ 387.358103 213.6
[M+K]+ 408.287438 197.6
[M+H-H2O]+ 352.321540 194.5
[M+HCOO]- 414.322481 219.5
[M+CH3COO]- 428.338131 222.5
[M+Na-2H]- 390.298946 198.3
[M]+ 369.32373142 208.5
[M]- 369.32482858 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