CID 29949765

2060042-91-1

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)O)N=C1CO
InChI
InChI=1S/C10H10N2O3/c1-12-8-3-2-6(10(14)15)4-7(8)11-9(12)5-13/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
VSPZCBIXONUPNW-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

206.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.7
[M+Na]+ 229.058358 152.8
[M-H]- 205.061864 142.3
[M+NH4]+ 224.102963 160.1
[M+K]+ 245.032298 149.3
[M+H-H2O]+ 189.066400 135.5
[M+HCOO]- 251.067341 162.2
[M+CH3COO]- 265.082991 181.5
[M+Na-2H]- 227.043806 146.8
[M]+ 206.06859142 144.5
[M]- 206.06968858 144.5
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