CID 54794907

2-(2-cyclohexylethoxy)benzaldehyde

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(CC1)CCOC2=CC=CC=C2C=O
InChI
InChI=1S/C15H20O2/c16-12-14-8-4-5-9-15(14)17-11-10-13-6-2-1-3-7-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChIKey
VKTUTPVZLUCHMB-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 154.1
[M+Na]+ 255.13555 158.3
[M-H]- 231.13905 159.5
[M+NH4]+ 250.18015 171.5
[M+K]+ 271.10949 155.3
[M+H-H2O]+ 215.14359 146.5
[M+HCOO]- 277.14453 174.5
[M+CH3COO]- 291.16018 190.4
[M+Na-2H]- 253.12100 157.9
[M]+ 232.14578 151.7
[M]- 232.14688 151.7
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