CID 21678769

A,a-diisopropylhomoveratronitrile

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)C(C#N)(C1=CC(=C(C=C1)OC)OC)C(C)C
InChI
InChI=1S/C16H23NO2/c1-11(2)16(10-17,12(3)4)13-7-8-14(18-5)15(9-13)19-6/h7-9,11-12H,1-6H3
InChIKey
VWPDXOUCSSNGRV-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-methyl-2-propan-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.0
[M+Na]+ 284.16210 172.2
[M-H]- 260.16560 167.2
[M+NH4]+ 279.20670 179.5
[M+K]+ 300.13604 170.2
[M+H-H2O]+ 244.17014 151.7
[M+HCOO]- 306.17108 180.1
[M+CH3COO]- 320.18673 212.1
[M+Na-2H]- 282.14755 165.3
[M]+ 261.17233 162.8
[M]- 261.17343 162.8
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

No patent data available for this compound.