CID 21895925

(1-methoxycyclohexyl)methanol

Structural Information

Molecular Formula
C8H16O2
SMILES
COC1(CCCCC1)CO
InChI
InChI=1S/C8H16O2/c1-10-8(7-9)5-3-2-4-6-8/h9H,2-7H2,1H3
InChIKey
ZZOCIZAHEZVEQG-UHFFFAOYSA-N
Compound name
(1-methoxycyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.2
[M+Na]+ 167.10426 137.3
[M-H]- 143.10776 133.8
[M+NH4]+ 162.14886 154.7
[M+K]+ 183.07820 136.7
[M+H-H2O]+ 127.11230 127.7
[M+HCOO]- 189.11324 151.6
[M+CH3COO]- 203.12889 170.3
[M+Na-2H]- 165.08971 138.5
[M]+ 144.11449 128.7
[M]- 144.11559 128.7
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