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]+ 171.13796 140.2
[M+Na]+ 193.11990 144.3
[M-H]- 169.12340 141.6
[M+NH4]+ 188.16450 161.5
[M+K]+ 209.09384 143.6
[M+H-H2O]+ 153.12794 135.7
[M+HCOO]- 215.12888 157.1
[M+CH3COO]- 229.14453 177.2
[M+Na-2H]- 191.10535 143.0
[M]+ 170.13013 135.4
[M]- 170.13123 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.