CID 6438152

Gabalid

Structural Information

Molecular Formula
C22H39NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCC(=O)O
InChI
InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-
InChIKey
YGFYZZQGVSUXJE-HZJYTTRNSA-N
Compound name
4-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

71
Patents

365.293 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.30028 199.7
[M+Na]+ 388.28222 199.7
[M-H]- 364.28572 195.7
[M+NH4]+ 383.32682 211.1
[M+K]+ 404.25616 194.5
[M+H-H2O]+ 348.29026 192.0
[M+HCOO]- 410.29120 217.2
[M+CH3COO]- 424.30685 219.6
[M+Na-2H]- 386.26767 195.7
[M]+ 365.29245 204.2
[M]- 365.29355 204.2
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