CID 480103

6-methoxy-1-prop-2-enyloxy-2-vinylbenzimidazole

Structural Information

Molecular Formula
C13H14N2O2
SMILES
COC1=CC2=C(C=C1)N=C(N2OCC=C)C=C
InChI
InChI=1S/C13H14N2O2/c1-4-8-17-15-12-9-10(16-3)6-7-11(12)14-13(15)5-2/h4-7,9H,1-2,8H2,3H3
InChIKey
PQWNYRZUJCWSBW-UHFFFAOYSA-N
Compound name
2-ethenyl-6-methoxy-1-prop-2-enoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.2
[M+Na]+ 253.094748 161.5
[M-H]- 229.098254 152.8
[M+NH4]+ 248.139353 169.1
[M+K]+ 269.068688 157.4
[M+H-H2O]+ 213.102790 142.9
[M+HCOO]- 275.103731 173.7
[M+CH3COO]- 289.119381 191.6
[M+Na-2H]- 251.080196 155.6
[M]+ 230.10498142 156.1
[M]- 230.10607858 156.1
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.