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

37
Patents

124.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 126.4
[M+Na]+ 147.114418 132.8
[M-H]- 123.117924 129.8
[M+NH4]+ 142.159023 150.8
[M+K]+ 163.088358 131.5
[M+H-H2O]+ 107.122460 122.3
[M+HCOO]- 169.123401 146.8
[M+CH3COO]- 183.139051 172.3
[M+Na-2H]- 145.099866 132.2
[M]+ 124.12465142 121.9
[M]- 124.12574858 121.9
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