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]+ 189.065856 138.3
[M+Na]+ 211.047798 148.0
[M-H]- 187.051304 138.1
[M+NH4]+ 206.092403 156.8
[M+K]+ 227.021738 143.4
[M+H-H2O]+ 171.055840 131.7
[M+HCOO]- 233.056781 158.8
[M+CH3COO]- 247.072431 175.4
[M+Na-2H]- 209.033246 144.7
[M]+ 188.05803142 138.0
[M]- 188.05912858 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