CID 43826144

1020960-74-0

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1CCC(CC1)OC2=CC=CC=C2C=O
InChI
InChI=1S/C14H18O2/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-5,10-11,13H,6-9H2,1H3
InChIKey
QNSYCBGSYBWTAZ-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohexyl)oxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.0
[M+Na]+ 241.119898 154.7
[M-H]- 217.123404 155.1
[M+NH4]+ 236.164503 167.4
[M+K]+ 257.093838 151.9
[M+H-H2O]+ 201.127940 142.0
[M+HCOO]- 263.128881 169.8
[M+CH3COO]- 277.144531 188.5
[M+Na-2H]- 239.105346 152.7
[M]+ 218.13013142 146.8
[M]- 218.13122858 146.8
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.