CID 165986865

2763777-17-7

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CC(C1)(CC(=O)O)N2C=CN=C2
InChI
InChI=1S/C9H12N2O2/c12-8(13)6-9(2-1-3-9)11-5-4-10-7-11/h4-5,7H,1-3,6H2,(H,12,13)
InChIKey
ZJRFVOLQWQOUEA-UHFFFAOYSA-N
Compound name
2-(1-imidazol-1-ylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.6
[M+Na]+ 203.07909 143.3
[M-H]- 179.08259 140.2
[M+NH4]+ 198.12369 151.0
[M+K]+ 219.05303 144.6
[M+H-H2O]+ 163.08713 126.2
[M+HCOO]- 225.08807 156.6
[M+CH3COO]- 239.10372 179.4
[M+Na-2H]- 201.06454 142.2
[M]+ 180.08932 144.9
[M]- 180.09042 144.9
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.