CID 86200940

4-(benzyloxy)cyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CC(CCC1C=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2
InChIKey
QRULNFQXSNRBTQ-UHFFFAOYSA-N
Compound name
4-phenylmethoxycyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

218.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 149.5
[M+Na]+ 241.11990 154.1
[M-H]- 217.12340 155.1
[M+NH4]+ 236.16450 167.5
[M+K]+ 257.09384 151.4
[M+H-H2O]+ 201.12794 142.2
[M+HCOO]- 263.12888 170.2
[M+CH3COO]- 277.14453 187.4
[M+Na-2H]- 239.10535 153.9
[M]+ 218.13013 146.8
[M]- 218.13123 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