CID 544055

1-hexyl-3-methylcyclopentane

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCCC1CCC(C1)C
InChI
InChI=1S/C12H24/c1-3-4-5-6-7-12-9-8-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKey
HWRYHSGAVPPRHI-UHFFFAOYSA-N
Compound name
1-hexyl-3-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 144.0
[M+Na]+ 191.177018 148.9
[M-H]- 167.180524 146.5
[M+NH4]+ 186.221623 166.5
[M+K]+ 207.150958 147.0
[M+H-H2O]+ 151.185060 138.5
[M+HCOO]- 213.186001 165.3
[M+CH3COO]- 227.201651 182.7
[M+Na-2H]- 189.162466 145.6
[M]+ 168.18725142 143.1
[M]- 168.18834858 143.1
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