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

9017
Patents

140.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 134.3
[M+Na]+ 163.14572 138.1
[M-H]- 139.14922 136.6
[M+NH4]+ 158.19032 155.7
[M+K]+ 179.11966 136.8
[M+H-H2O]+ 123.15376 128.7
[M+HCOO]- 185.15470 154.1
[M+CH3COO]- 199.17035 175.7
[M+Na-2H]- 161.13117 139.0
[M]+ 140.15595 130.2
[M]- 140.15705 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