CID 135435077

(z)-2-hydroxy-3-(1-methylbenzimidazol-2-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CN1C2=CC=CC=C2N=C1/C=C(/C(=O)O)\O
InChI
InChI=1S/C11H10N2O3/c1-13-8-5-3-2-4-7(8)12-10(13)6-9(14)11(15)16/h2-6,14H,1H3,(H,15,16)/b9-6-
InChIKey
MDQHSMPLNMTDCW-TWGQIWQCSA-N
Compound name
(Z)-2-hydroxy-3-(1-methylbenzimidazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 145.8
[M+Na]+ 241.05836 155.6
[M-H]- 217.06186 146.0
[M+NH4]+ 236.10296 163.3
[M+K]+ 257.03230 151.8
[M+H-H2O]+ 201.06640 139.4
[M+HCOO]- 263.06734 165.2
[M+CH3COO]- 277.08299 182.7
[M+Na-2H]- 239.04381 149.9
[M]+ 218.06859 147.1
[M]- 218.06969 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.