CID 6119

2-aminoisobutyric acid

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC(C)(C(=O)O)N
InChI
InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey
FUOOLUPWFVMBKG-UHFFFAOYSA-N
Compound name
2-amino-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

812
References

64675
Patents

103.06333 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.5
[M+Na]+ 126.052548 126.7
[M-H]- 102.056054 118.5
[M+NH4]+ 121.097153 141.4
[M+K]+ 142.026488 126.8
[M+H-H2O]+ 86.060590 115.8
[M+HCOO]- 148.061531 140.9
[M+CH3COO]- 162.077181 166.7
[M+Na-2H]- 124.037996 125.6
[M]+ 103.06278142 117.2
[M]- 103.06387858 117.2
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