CID 28369623

3-(cyclohexylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CCC(CC1)COC2=CC=CC(=C2)C=O
InChI
InChI=1S/C14H18O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2
InChIKey
WHKLMKVCYKWULR-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

218.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.5
[M+Na]+ 241.119898 154.1
[M-H]- 217.123404 155.1
[M+NH4]+ 236.164503 167.5
[M+K]+ 257.093838 151.4
[M+H-H2O]+ 201.127940 142.2
[M+HCOO]- 263.128881 170.2
[M+CH3COO]- 277.144531 187.4
[M+Na-2H]- 239.105346 153.9
[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

patents stripe