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 135.2
[M+Na]+ 186.12532 144.6
[M-H]- 162.12882 139.0
[M+NH4]+ 181.16992 156.3
[M+K]+ 202.09926 140.7
[M+H-H2O]+ 146.13336 124.8
[M+HCOO]- 208.13430 152.2
[M+CH3COO]- 222.14995 193.0
[M+Na-2H]- 184.11077 139.6
[M]+ 163.13555 127.6
[M]- 163.13665 127.6
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.