CID 13587560

69774-36-3

Structural Information

Molecular Formula
C16H20N2
SMILES
CC(C)(CC1=CC(=CC=C1)CC(C)(C)C#N)C#N
InChI
InChI=1S/C16H20N2/c1-15(2,11-17)9-13-6-5-7-14(8-13)10-16(3,4)12-18/h5-8H,9-10H2,1-4H3
InChIKey
UVMUSKQGUXKWCB-UHFFFAOYSA-N
Compound name
3-[3-(2-cyano-2-methylpropyl)phenyl]-2,2-dimethylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.16264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 179.3
[M+Na]+ 263.15186 187.4
[M+NH4]+ 258.19646 179.8
[M+K]+ 279.12580 176.8
[M-H]- 239.15536 169.2
[M+Na-2H]- 261.13731 178.5
[M]+ 240.16209 176.5
[M]- 240.16319 176.5
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