CID 106814

2,2-dimethyl-6-methylenecyclohexaneacetonitrile

Structural Information

Molecular Formula
C11H17N
SMILES
CC1(CCCC(=C)C1CC#N)C
InChI
InChI=1S/C11H17N/c1-9-5-4-7-11(2,3)10(9)6-8-12/h10H,1,4-7H2,2-3H3
InChIKey
NLSLGTHGRIYBME-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-6-methylidenecyclohexyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

163.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.1
[M+Na]+ 186.12532 148.2
[M+NH4]+ 181.16992 143.9
[M+K]+ 202.09926 136.7
[M-H]- 162.12882 132.2
[M+Na-2H]- 184.11077 141.1
[M]+ 163.13555 136.6
[M]- 163.13665 136.6
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

No patent data available for this compound.