CID 399714

Nsc710718

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=CC2=C(C=C1)N=C(N2OCC=C)C=C
InChI
InChI=1S/C13H14N2O/c1-4-8-16-15-12-9-10(3)6-7-11(12)14-13(15)5-2/h4-7,9H,1-2,8H2,3H3
InChIKey
OSPBKNPMGPLFND-UHFFFAOYSA-N
Compound name
2-ethenyl-6-methyl-1-prop-2-enoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.0
[M+Na]+ 237.099828 158.6
[M-H]- 213.103334 149.7
[M+NH4]+ 232.144433 166.7
[M+K]+ 253.073768 153.9
[M+H-H2O]+ 197.107870 139.9
[M+HCOO]- 259.108811 170.4
[M+CH3COO]- 273.124461 189.6
[M+Na-2H]- 235.085276 152.5
[M]+ 214.11006142 151.6
[M]- 214.11115858 151.6
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.