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

809
References

54286
Patents

103.06333 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.4
[M+Na]+ 126.05255 127.6
[M+NH4]+ 121.09715 126.3
[M+K]+ 142.02649 125.2
[M-H]- 102.05605 117.4
[M+Na-2H]- 124.03800 122.1
[M]+ 103.06278 119.6
[M]- 103.06388 119.6
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