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]+ 171.13796 138.8
[M+Na]+ 193.11990 143.6
[M-H]- 169.12340 141.5
[M+NH4]+ 188.16450 159.1
[M+K]+ 209.09384 143.1
[M+H-H2O]+ 153.12794 133.3
[M+HCOO]- 215.12888 158.3
[M+CH3COO]- 229.14453 180.6
[M+Na-2H]- 191.10535 141.6
[M]+ 170.13013 136.7
[M]- 170.13123 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