CID 549959

1-ethyl-1,3-dimethylcyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
CCC1(CCCC(C1)C)C
InChI
InChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3
InChIKey
YLZKVXHQMPWDBJ-UHFFFAOYSA-N
Compound name
1-ethyl-1,3-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

140.1565 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 132.5
[M+Na]+ 163.145718 138.2
[M-H]- 139.149224 135.7
[M+NH4]+ 158.190323 156.4
[M+K]+ 179.119658 137.2
[M+H-H2O]+ 123.153760 128.1
[M+HCOO]- 185.154701 152.4
[M+CH3COO]- 199.170351 176.3
[M+Na-2H]- 161.131166 137.7
[M]+ 140.15595142 129.1
[M]- 140.15704858 129.1
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

No patent data available for this compound.