CID 91658149

2-[(cyclohexyloxy)methyl]benzaldehyde

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CCC(CC1)OCC2=CC=CC=C2C=O
InChI
InChI=1S/C14H18O2/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h4-7,10,14H,1-3,8-9,11H2
InChIKey
AQDXTRTUHHYERZ-UHFFFAOYSA-N
Compound name
2-(cyclohexyloxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 150.8
[M+Na]+ 241.11990 163.6
[M+NH4]+ 236.16450 160.0
[M+K]+ 257.09384 155.5
[M-H]- 217.12340 155.3
[M+Na-2H]- 239.10535 158.7
[M]+ 218.13013 153.9
[M]- 218.13123 153.9
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.