CID 86775525

1-(4-methoxycyclohexyl)propan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CCC(=O)C1CCC(CC1)OC
InChI
InChI=1S/C10H18O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h8-9H,3-7H2,1-2H3
InChIKey
QMBKQWJGBJUBKS-UHFFFAOYSA-N
Compound name
1-(4-methoxycyclohexyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 138.8
[M+Na]+ 193.119898 143.6
[M-H]- 169.123404 141.5
[M+NH4]+ 188.164503 159.1
[M+K]+ 209.093838 143.1
[M+H-H2O]+ 153.127940 133.3
[M+HCOO]- 215.128881 158.3
[M+CH3COO]- 229.144531 180.6
[M+Na-2H]- 191.105346 141.6
[M]+ 170.13013142 136.7
[M]- 170.13122858 136.7
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