CID 98428

2-ethoxycyclohexan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCOC1CCCCC1O
InChI
InChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3
InChIKey
PKOQGLKMAXRWPD-UHFFFAOYSA-N
Compound name
2-ethoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

49
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 131.6
[M+Na]+ 167.104258 136.8
[M-H]- 143.107764 133.2
[M+NH4]+ 162.148863 152.4
[M+K]+ 183.078198 136.0
[M+H-H2O]+ 127.112300 126.6
[M+HCOO]- 189.113241 151.1
[M+CH3COO]- 203.128891 171.9
[M+Na-2H]- 165.089706 136.2
[M]+ 144.11449142 128.2
[M]- 144.11558858 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

literature stripe

Patent stripe

patents stripe