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

2
Patents

129.04259 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 125.4
[M+Na]+ 152.03181 131.5
[M-H]- 128.03531 127.6
[M+NH4]+ 147.07641 141.3
[M+K]+ 168.00575 134.0
[M+H-H2O]+ 112.03985 116.4
[M+HCOO]- 174.04079 146.4
[M+CH3COO]- 188.05644 173.2
[M+Na-2H]- 150.01726 130.2
[M]+ 129.04204 131.1
[M]- 129.04314 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