CID 36853

Cetyl gaba

Structural Information

Molecular Formula
C20H41NO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCN
InChI
InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-20(22)17-16-18-21/h2-19,21H2,1H3
InChIKey
FQZPXSRKCOWUEI-UHFFFAOYSA-N
Compound name
hexadecyl 4-aminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

28
Patents

327.31372 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.32100 191.9
[M+Na]+ 350.30294 192.4
[M-H]- 326.30644 188.9
[M+NH4]+ 345.34754 205.5
[M+K]+ 366.27688 189.0
[M+H-H2O]+ 310.31098 184.1
[M+HCOO]- 372.31192 211.1
[M+CH3COO]- 386.32757 216.6
[M+Na-2H]- 348.28839 189.4
[M]+ 327.31317 198.1
[M]- 327.31427 198.1
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