CID 61412917

1-cyclohexyl-3-methoxypropan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
COCCC(=O)C1CCCCC1
InChI
InChI=1S/C10H18O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKey
WNNVMUMOYOXZOA-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-methoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.7
[M+Na]+ 193.119898 143.5
[M-H]- 169.123404 142.0
[M+NH4]+ 188.164503 159.6
[M+K]+ 209.093838 142.9
[M+H-H2O]+ 153.127940 133.8
[M+HCOO]- 215.128881 159.2
[M+CH3COO]- 229.144531 179.5
[M+Na-2H]- 191.105346 143.1
[M]+ 170.13013142 137.2
[M]- 170.13122858 137.2
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.