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

6
Patents

206.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 141.7
[M+Na]+ 229.05836 152.8
[M-H]- 205.06186 142.3
[M+NH4]+ 224.10296 160.1
[M+K]+ 245.03230 149.3
[M+H-H2O]+ 189.06640 135.5
[M+HCOO]- 251.06734 162.2
[M+CH3COO]- 265.08299 181.5
[M+Na-2H]- 227.04381 146.8
[M]+ 206.06859 144.5
[M]- 206.06969 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