CID 20466424

3,3-dimethoxy-2-phenylpropanenitrile

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(C(C#N)C1=CC=CC=C1)OC
InChI
InChI=1S/C11H13NO2/c1-13-11(14-2)10(8-12)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3
InChIKey
OCHZXVNDZYVOHB-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 143.0
[M+Na]+ 214.083858 151.3
[M-H]- 190.087364 145.9
[M+NH4]+ 209.128463 160.3
[M+K]+ 230.057798 149.4
[M+H-H2O]+ 174.091900 130.3
[M+HCOO]- 236.092841 161.9
[M+CH3COO]- 250.108491 196.3
[M+Na-2H]- 212.069306 147.3
[M]+ 191.09409142 139.9
[M]- 191.09518858 139.9
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