CID 15506

Butylcyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
CCCCC1CCCCC1
InChI
InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
InChIKey
GGBJHURWWWLEQH-UHFFFAOYSA-N
Compound name
butylcyclohexane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5
References

18087
Patents

140.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 134.3
[M+Na]+ 163.145718 138.1
[M-H]- 139.149224 136.6
[M+NH4]+ 158.190323 155.7
[M+K]+ 179.119658 136.8
[M+H-H2O]+ 123.153760 128.7
[M+HCOO]- 185.154701 154.1
[M+CH3COO]- 199.170351 175.7
[M+Na-2H]- 161.131166 139.0
[M]+ 140.15595142 130.2
[M]- 140.15704858 130.2
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