CID 101096771

Cyclohexane, 2-ethoxy-1,3-dimethyl-

Structural Information

Molecular Formula
C10H20O
SMILES
CCOC1C(CCCC1C)C
InChI
InChI=1S/C10H20O/c1-4-11-10-8(2)6-5-7-9(10)3/h8-10H,4-7H2,1-3H3
InChIKey
HMKOSXMYMMZQQM-UHFFFAOYSA-N
Compound name
2-ethoxy-1,3-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

156.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 136.1
[M+Na]+ 179.140628 141.9
[M-H]- 155.144134 139.2
[M+NH4]+ 174.185233 157.6
[M+K]+ 195.114568 141.1
[M+H-H2O]+ 139.148670 131.0
[M+HCOO]- 201.149611 156.2
[M+CH3COO]- 215.165261 179.8
[M+Na-2H]- 177.126076 139.5
[M]+ 156.15086142 134.3
[M]- 156.15195858 134.3
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