CID 149729428

2470436-48-5

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1C(=O)CC1(C(=O)O)N
InChI
InChI=1S/C5H7NO3/c6-5(4(8)9)1-3(7)2-5/h1-2,6H2,(H,8,9)
InChIKey
AYWACIBPTGPWIN-UHFFFAOYSA-N
Compound name
1-amino-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.04259 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 125.4
[M+Na]+ 152.031808 131.5
[M-H]- 128.035314 127.6
[M+NH4]+ 147.076413 141.3
[M+K]+ 168.005748 134.0
[M+H-H2O]+ 112.039850 116.4
[M+HCOO]- 174.040791 146.4
[M+CH3COO]- 188.056441 173.2
[M+Na-2H]- 150.017256 130.2
[M]+ 129.04204142 131.1
[M]- 129.04313858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe