CID 59236849

(4,4-dimethoxycyclohexyl)methanol

Structural Information

Molecular Formula
C9H18O3
SMILES
COC1(CCC(CC1)CO)OC
InChI
InChI=1S/C9H18O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3
InChIKey
PXFYBMNWJONODH-UHFFFAOYSA-N
Compound name
(4,4-dimethoxycyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.1256 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 138.6
[M+Na]+ 197.11482 144.3
[M-H]- 173.11832 140.4
[M+NH4]+ 192.15942 160.2
[M+K]+ 213.08876 144.0
[M+H-H2O]+ 157.12286 134.1
[M+HCOO]- 219.12380 158.0
[M+CH3COO]- 233.13945 176.5
[M+Na-2H]- 195.10027 143.9
[M]+ 174.12505 137.5
[M]- 174.12615 137.5
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