CID 7962

Methylcyclohexane

Structural Information

Molecular Formula
C7H14
SMILES
CC1CCCCC1
InChI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
Compound name
methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

211
References

142449
Patents

98.10955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 120.4
[M+Na]+ 121.09877 125.4
[M-H]- 97.102274 123.3
[M+NH4]+ 116.14337 143.5
[M+K]+ 137.07271 125.0
[M+H-H2O]+ 81.106810 115.5
[M+HCOO]- 143.10775 141.2
[M+CH3COO]- 157.12340 166.6
[M+Na-2H]- 119.08422 126.8
[M]+ 98.109001 115.2
[M]- 98.110099 115.2
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