CID 45078217

2060040-90-4

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CCN1C2=CC=CC=C2N=C1C(=O)O
InChI
InChI=1S/C10H10N2O2/c1-2-12-8-6-4-3-5-7(8)11-9(12)10(13)14/h3-6H,2H2,1H3,(H,13,14)
InChIKey
XLXVZMXZRKPYAG-UHFFFAOYSA-N
Compound name
1-ethylbenzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.4
[M+Na]+ 213.06345 149.1
[M-H]- 189.06695 139.9
[M+NH4]+ 208.10805 157.9
[M+K]+ 229.03739 145.9
[M+H-H2O]+ 173.07149 131.7
[M+HCOO]- 235.07243 160.2
[M+CH3COO]- 249.08808 180.6
[M+Na-2H]- 211.04890 144.5
[M]+ 190.07368 141.1
[M]- 190.07478 141.1
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