CID 89643

1-aminocyclobutanecarboxylic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC(C1)(C(=O)O)N
InChI
InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
InChIKey
FVTVMQPGKVHSEY-UHFFFAOYSA-N
Compound name
1-aminocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

4347
Patents

115.06333 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 125.6
[M+Na]+ 138.05255 129.7
[M+NH4]+ 133.09715 130.6
[M+K]+ 154.02649 126.3
[M-H]- 114.05605 123.1
[M+Na-2H]- 136.03800 128.2
[M]+ 115.06278 124.1
[M]- 115.06388 124.1
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