CID 10219898

2-(3,4-dimethoxyphenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)(C#N)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C12H15NO2/c1-12(2,8-13)9-5-6-10(14-3)11(7-9)15-4/h5-7H,1-4H3
InChIKey
OEWDSMNBHDNSTP-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

205.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 146.7
[M+Na]+ 228.099498 157.0
[M-H]- 204.103004 150.5
[M+NH4]+ 223.144103 164.4
[M+K]+ 244.073438 155.0
[M+H-H2O]+ 188.107540 134.9
[M+HCOO]- 250.108481 165.8
[M+CH3COO]- 264.124131 199.8
[M+Na-2H]- 226.084946 152.1
[M]+ 205.10973142 145.4
[M]- 205.11082858 145.4
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

patents stripe