CID 80503670

1368588-55-9

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CC1N2C=NC3=C2C=C(C=C3)C(=O)O
InChI
InChI=1S/C11H10N2O2/c14-11(15)7-1-4-9-10(5-7)13(6-12-9)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,15)
InChIKey
LTKFWZHJCSPJAD-UHFFFAOYSA-N
Compound name
3-cyclopropylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 145.6
[M+Na]+ 225.06345 157.7
[M-H]- 201.06695 150.8
[M+NH4]+ 220.10805 159.6
[M+K]+ 241.03739 152.4
[M+H-H2O]+ 185.07149 138.5
[M+HCOO]- 247.07243 167.4
[M+CH3COO]- 261.08808 158.6
[M+Na-2H]- 223.04890 151.0
[M]+ 202.07368 149.5
[M]- 202.07478 149.5
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.