CID 10932

3-aminobutanoic acid

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC(CC(=O)O)N
InChI
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey
OQEBBZSWEGYTPG-UHFFFAOYSA-N
Compound name
3-aminobutanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

151
References

9457
Patents

103.06333 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.9
[M+Na]+ 126.05255 128.1
[M+NH4]+ 121.09715 126.8
[M+K]+ 142.02649 125.1
[M-H]- 102.05605 118.3
[M+Na-2H]- 124.03800 122.3
[M]+ 103.06278 120.1
[M]- 103.06388 120.1
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