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

51
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 136.7
[M+Na]+ 181.11990 141.4
[M-H]- 157.12340 138.1
[M+NH4]+ 176.16450 158.7
[M+K]+ 197.09384 140.6
[M+H-H2O]+ 141.12794 132.0
[M+HCOO]- 203.12888 155.8
[M+CH3COO]- 217.14453 173.4
[M+Na-2H]- 179.10535 142.5
[M]+ 158.13013 133.6
[M]- 158.13123 133.6
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