CID 12297671

2-(3,4-dimethoxyphenyl)propanenitrile

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(C#N)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H13NO2/c1-8(7-12)9-4-5-10(13-2)11(6-9)14-3/h4-6,8H,1-3H3
InChIKey
ZEOXJCSGZQSIPT-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.4
[M+Na]+ 214.08386 150.5
[M-H]- 190.08736 144.1
[M+NH4]+ 209.12846 158.4
[M+K]+ 230.05780 148.6
[M+H-H2O]+ 174.09190 128.2
[M+HCOO]- 236.09284 160.3
[M+CH3COO]- 250.10849 197.5
[M+Na-2H]- 212.06931 144.8
[M]+ 191.09409 138.6
[M]- 191.09519 138.6
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