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

3
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 143.0
[M+Na]+ 214.08386 151.3
[M-H]- 190.08736 145.9
[M+NH4]+ 209.12846 160.3
[M+K]+ 230.05780 149.4
[M+H-H2O]+ 174.09190 130.3
[M+HCOO]- 236.09284 161.9
[M+CH3COO]- 250.10849 196.3
[M+Na-2H]- 212.06931 147.3
[M]+ 191.09409 139.9
[M]- 191.09519 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