CID 82334255

Sodium 2-(5-methoxy-1-methyl-1h-1,3-benzodiazol-2-yl)acetate

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CN1C2=C(C=C(C=C2)OC)N=C1CC(=O)O
InChI
InChI=1S/C11H12N2O3/c1-13-9-4-3-7(16-2)5-8(9)12-10(13)6-11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey
LUPHEXNQUGDWCU-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 145.7
[M+Na]+ 243.07402 156.8
[M-H]- 219.07752 147.5
[M+NH4]+ 238.11862 164.3
[M+K]+ 259.04796 154.0
[M+H-H2O]+ 203.08206 139.1
[M+HCOO]- 265.08300 167.4
[M+CH3COO]- 279.09865 186.9
[M+Na-2H]- 241.05947 150.7
[M]+ 220.08425 150.7
[M]- 220.08535 150.7
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.