CID 6193963

(2e)-3-(1h-1,3-benzodiazol-2-yl)prop-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C2C(=C1)NC(=N2)/C=C/C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6H,(H,11,12)(H,13,14)/b6-5+
InChIKey
FEGNPBYZFFAMCR-AATRIKPKSA-N
Compound name
(E)-3-(1H-benzimidazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.05858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 138.3
[M+Na]+ 211.04780 148.0
[M-H]- 187.05130 138.1
[M+NH4]+ 206.09240 156.8
[M+K]+ 227.02174 143.4
[M+H-H2O]+ 171.05584 131.7
[M+HCOO]- 233.05678 158.8
[M+CH3COO]- 247.07243 175.4
[M+Na-2H]- 209.03325 144.7
[M]+ 188.05803 138.0
[M]- 188.05913 138.0
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