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]+ 157.15869 136.1
[M+Na]+ 179.14063 141.9
[M-H]- 155.14413 139.2
[M+NH4]+ 174.18523 157.6
[M+K]+ 195.11457 141.1
[M+H-H2O]+ 139.14867 131.0
[M+HCOO]- 201.14961 156.2
[M+CH3COO]- 215.16526 179.8
[M+Na-2H]- 177.12608 139.5
[M]+ 156.15086 134.3
[M]- 156.15196 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