CID 125453116

2260933-39-7

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1C(CC1N2C=CN=C2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)6-3-7(4-6)10-2-1-9-5-10/h1-2,5-7H,3-4H2,(H,11,12)
InChIKey
KCGYHLYGPZLNMA-UHFFFAOYSA-N
Compound name
3-imidazol-1-ylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.0
[M+Na]+ 189.06345 139.8
[M+NH4]+ 184.10805 137.1
[M+K]+ 205.03739 139.3
[M-H]- 165.06695 131.6
[M+Na-2H]- 187.04890 136.5
[M]+ 166.07368 132.6
[M]- 166.07478 132.6
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

No patent data available for this compound.