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

1
Patents

232.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 154.1
[M+Na]+ 255.135548 158.3
[M-H]- 231.139054 159.5
[M+NH4]+ 250.180153 171.5
[M+K]+ 271.109488 155.3
[M+H-H2O]+ 215.143590 146.5
[M+HCOO]- 277.144531 174.5
[M+CH3COO]- 291.160181 190.4
[M+Na-2H]- 253.120996 157.9
[M]+ 232.14578142 151.7
[M]- 232.14687858 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