CID 521503

1-methyl-2-pentylcyclohexane

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCC1CCCCC1C
InChI
InChI=1S/C12H24/c1-3-4-5-9-12-10-7-6-8-11(12)2/h11-12H,3-10H2,1-2H3
InChIKey
NBAUUOZAFSUJPB-UHFFFAOYSA-N
Compound name
1-methyl-2-pentylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

168.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 142.8
[M+Na]+ 191.177018 146.7
[M-H]- 167.180524 145.1
[M+NH4]+ 186.221623 163.5
[M+K]+ 207.150958 144.9
[M+H-H2O]+ 151.185060 137.1
[M+HCOO]- 213.186001 162.0
[M+CH3COO]- 227.201651 182.8
[M+Na-2H]- 189.162466 145.7
[M]+ 168.18725142 139.8
[M]- 168.18834858 139.8
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