CID 106814

Einecs 267-143-0

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
3
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]+ 164.143376 135.2
[M+Na]+ 186.125318 144.6
[M-H]- 162.128824 139.0
[M+NH4]+ 181.169923 156.3
[M+K]+ 202.099258 140.7
[M+H-H2O]+ 146.133360 124.8
[M+HCOO]- 208.134301 152.2
[M+CH3COO]- 222.149951 193.0
[M+Na-2H]- 184.110766 139.6
[M]+ 163.13555142 127.6
[M]- 163.13664858 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.