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: 167
Patents: 110.10955 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	111.11683	122.7
[M+Na]+	133.09877	128.6
[M-H]-	109.10227	125.9
[M+NH4]+	128.14337	145.7
[M+K]+	149.07271	127.3
[M+H-H2O]+	93.106810	118.0
[M+HCOO]-	155.10775	143.5
[M+CH3COO]-	169.12340	169.7
[M+Na-2H]-	131.08422	128.0
[M]+	110.10900	117.6
[M]-	110.11010	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe