CID 740249

1-(2-hydroxyethyl)-2-methyl-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=NC2=C(N1CCO)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-7-12-9-6-8(11(15)16)2-3-10(9)13(7)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKey
PLZYWTUVQMJZHL-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-2-methylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

220.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.4
[M+Na]+ 243.07402 157.0
[M-H]- 219.07752 146.8
[M+NH4]+ 238.11862 164.2
[M+K]+ 259.04796 153.3
[M+H-H2O]+ 203.08206 140.0
[M+HCOO]- 265.08300 166.6
[M+CH3COO]- 279.09865 184.5
[M+Na-2H]- 241.05947 150.9
[M]+ 220.08425 149.5
[M]- 220.08535 149.5
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