CID 63018586

2995284-41-6

Structural Information

Molecular Formula
C10H10N2O3
SMILES
COCC1=NC2=C(C=CC=C2N1)C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-15-5-8-11-7-4-2-3-6(10(13)14)9(7)12-8/h2-4H,5H2,1H3,(H,11,12)(H,13,14)
InChIKey
SIRBHXFWTMYNFA-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1H-benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.8
[M+Na]+ 229.058358 151.9
[M-H]- 205.061864 141.9
[M+NH4]+ 224.102963 159.8
[M+K]+ 245.032298 148.4
[M+H-H2O]+ 189.066400 135.2
[M+HCOO]- 251.067341 162.3
[M+CH3COO]- 265.082991 180.2
[M+Na-2H]- 227.043806 147.5
[M]+ 206.06859142 144.1
[M]- 206.06968858 144.1
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

No patent data available for this compound.