CID 1550958

3-(3,4-dimethoxyphenyl)acrylonitrile

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=C(C=C(C=C1)/C=C/C#N)OC
InChI
InChI=1S/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3/b4-3+
InChIKey
WGPTVEZJYRFEGT-ONEGZZNKSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

88
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.4
[M+Na]+ 212.06820 150.2
[M-H]- 188.07170 143.1
[M+NH4]+ 207.11280 157.6
[M+K]+ 228.04214 147.2
[M+H-H2O]+ 172.07624 127.3
[M+HCOO]- 234.07718 160.4
[M+CH3COO]- 248.09283 195.4
[M+Na-2H]- 210.05365 144.9
[M]+ 189.07843 137.5
[M]- 189.07953 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe