CID 79619013

3-ethoxycyclohexan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCOC1CCCC(C1)O
InChI
InChI=1S/C8H16O2/c1-2-10-8-5-3-4-7(9)6-8/h7-9H,2-6H2,1H3
InChIKey
VMIHDEMXNIQISM-UHFFFAOYSA-N
Compound name
3-ethoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.6
[M+Na]+ 167.10426 136.8
[M-H]- 143.10776 133.2
[M+NH4]+ 162.14886 152.4
[M+K]+ 183.07820 136.0
[M+H-H2O]+ 127.11230 126.6
[M+HCOO]- 189.11324 151.1
[M+CH3COO]- 203.12889 171.9
[M+Na-2H]- 165.08971 136.2
[M]+ 144.11449 128.2
[M]- 144.11559 128.2
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