CID 3063755

101564-47-0

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C(CC(C(C1)CCC#N)C#N)C
InChI
InChI=1S/C12H16N2/c1-9-6-11(4-3-5-13)12(8-14)7-10(9)2/h11-12H,3-4,6-7H2,1-2H3
InChIKey
OWYDKCZFKGTAKJ-UHFFFAOYSA-N
Compound name
6-(2-cyanoethyl)-3,4-dimethylcyclohex-3-ene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 166.6
[M+Na]+ 211.12057 175.0
[M+NH4]+ 206.16517 167.7
[M+K]+ 227.09451 164.1
[M-H]- 187.12407 157.1
[M+Na-2H]- 209.10602 165.4
[M]+ 188.13080 163.8
[M]- 188.13190 163.8
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

No patent data available for this compound.