CID 520363

1-methyl-4-methylidenecyclohexane

Structural Information

Molecular Formula
C8H14
SMILES
CC1CCC(=C)CC1
InChI
InChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h8H,1,3-6H2,2H3
InChIKey
DRTOPLRMDZJIGV-UHFFFAOYSA-N
Compound name
1-methyl-4-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

171
Patents

110.10955 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.116826 122.7
[M+Na]+ 133.098768 128.6
[M-H]- 109.102274 125.9
[M+NH4]+ 128.143373 145.7
[M+K]+ 149.072708 127.3
[M+H-H2O]+ 93.106810 118.0
[M+HCOO]- 155.107751 143.5
[M+CH3COO]- 169.123401 169.7
[M+Na-2H]- 131.084216 128.0
[M]+ 110.10900142 117.6
[M]- 110.11009858 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe