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]+ 231.11281 150.2
[M+Na]+ 253.09475 161.5
[M-H]- 229.09825 152.8
[M+NH4]+ 248.13935 169.1
[M+K]+ 269.06869 157.4
[M+H-H2O]+ 213.10279 142.9
[M+HCOO]- 275.10373 173.7
[M+CH3COO]- 289.11938 191.6
[M+Na-2H]- 251.08020 155.6
[M]+ 230.10498 156.1
[M]- 230.10608 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.