CID 53788279

[1-(methoxymethyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C9H18O2
SMILES
COCC1(CCCCC1)CO
InChI
InChI=1S/C9H18O2/c1-11-8-9(7-10)5-3-2-4-6-9/h10H,2-8H2,1H3
InChIKey
FAABVQIBIYGNJV-UHFFFAOYSA-N
Compound name
[1-(methoxymethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

158.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 136.6
[M+Na]+ 181.11990 146.5
[M+NH4]+ 176.16450 146.7
[M+K]+ 197.09384 138.6
[M-H]- 157.12340 138.0
[M+Na-2H]- 179.10535 142.7
[M]+ 158.13013 138.4
[M]- 158.13123 138.4
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