CID 66162091

1-cyclopropyl-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC1N2C=NC=C2C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChIKey
DYSGRHCXXAJAQR-UHFFFAOYSA-N
Compound name
3-cyclopropylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 133.7
[M+Na]+ 175.047798 144.3
[M-H]- 151.051304 137.8
[M+NH4]+ 170.092403 148.4
[M+K]+ 191.021738 140.9
[M+H-H2O]+ 135.055840 126.6
[M+HCOO]- 197.056781 155.5
[M+CH3COO]- 211.072431 175.5
[M+Na-2H]- 173.033246 138.2
[M]+ 152.05803142 135.7
[M]- 152.05912858 135.7
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