CID 119

Gamma-aminobutyric acid

Structural Information

Molecular Formula
C4H9NO2
SMILES
C(CC(=O)O)CN
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey
BTCSSZJGUNDROE-UHFFFAOYSA-N
Compound name
4-aminobutanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

45685
References

65614
Patents

103.06333 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.9
[M+Na]+ 126.052548 126.7
[M-H]- 102.056054 118.6
[M+NH4]+ 121.097153 141.7
[M+K]+ 142.026488 126.4
[M+H-H2O]+ 86.060590 115.5
[M+HCOO]- 148.061531 142.9
[M+CH3COO]- 162.077181 166.4
[M+Na-2H]- 124.037996 125.3
[M]+ 103.06278142 118.2
[M]- 103.06387858 118.2
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