CID 25917132

1-cyclopropyl-1,3-benzodiazole-5-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 146.0
[M+Na]+ 225.06345 160.6
[M+NH4]+ 220.10805 154.5
[M+K]+ 241.03739 157.7
[M-H]- 201.06695 154.6
[M+Na-2H]- 223.04890 154.8
[M]+ 202.07368 151.5
[M]- 202.07478 151.5
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

patents stripe