CID 572964

1,1-dimethyl-4-methylidenecyclohexane

Structural Information

Molecular Formula
C9H16
SMILES
CC1(CCC(=C)CC1)C
InChI
InChI=1S/C9H16/c1-8-4-6-9(2,3)7-5-8/h1,4-7H2,2-3H3
InChIKey
PRRXIEFNGOETTR-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

124.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 128.7
[M+Na]+ 147.11442 140.6
[M+NH4]+ 142.15902 140.1
[M+K]+ 163.08836 131.5
[M-H]- 123.11792 131.6
[M+Na-2H]- 145.09987 136.1
[M]+ 124.12465 131.3
[M]- 124.12575 131.3
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