CID 85753830

2-hydroxy-1-(1-methylcyclohexyl)propan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C(=O)C1(CCCCC1)C)O
InChI
InChI=1S/C10H18O2/c1-8(11)9(12)10(2)6-4-3-5-7-10/h8,11H,3-7H2,1-2H3
InChIKey
ZWFZXQRNARHPCA-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(1-methylcyclohexyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 140.2
[M+Na]+ 193.119898 144.3
[M-H]- 169.123404 141.6
[M+NH4]+ 188.164503 161.5
[M+K]+ 209.093838 143.6
[M+H-H2O]+ 153.127940 135.7
[M+HCOO]- 215.128881 157.1
[M+CH3COO]- 229.144531 177.2
[M+Na-2H]- 191.105346 143.0
[M]+ 170.13013142 135.4
[M]- 170.13122858 135.4
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

No patent data available for this compound.