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 173.9
[M+Na]+ 263.15186 182.5
[M-H]- 239.15536 177.3
[M+NH4]+ 258.19646 185.6
[M+K]+ 279.12580 178.7
[M+H-H2O]+ 223.15990 159.0
[M+HCOO]- 285.16084 183.6
[M+CH3COO]- 299.17649 224.2
[M+Na-2H]- 261.13731 175.1
[M]+ 240.16209 166.6
[M]- 240.16319 166.6
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