CID 14502

Methylenecyclohexane

Structural Information

Molecular Formula
C7H12
SMILES
C=C1CCCCC1
InChI
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKey
YULMNMJFAZWLLN-UHFFFAOYSA-N
Compound name
methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

5427
Patents

96.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 118.9
[M+Na]+ 119.083118 124.3
[M-H]- 95.086624 121.9
[M+NH4]+ 114.127723 142.1
[M+K]+ 135.057058 123.3
[M+H-H2O]+ 79.091160 114.1
[M+HCOO]- 141.092101 140.0
[M+CH3COO]- 155.107751 165.6
[M+Na-2H]- 117.068566 125.4
[M]+ 96.09335142 113.1
[M]- 96.09444858 113.1
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