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

37
Patents

205.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.7
[M+Na]+ 228.09950 157.0
[M-H]- 204.10300 150.5
[M+NH4]+ 223.14410 164.4
[M+K]+ 244.07344 155.0
[M+H-H2O]+ 188.10754 134.9
[M+HCOO]- 250.10848 165.8
[M+CH3COO]- 264.12413 199.8
[M+Na-2H]- 226.08495 152.1
[M]+ 205.10973 145.4
[M]- 205.11083 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