CID 4996820

3-tert-butyl-5-cyclohexyl-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C17H24O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C=O)C2CCCCC2
InChI
InChI=1S/C17H24O2/c1-17(2,3)15-10-13(9-14(11-18)16(15)19)12-7-5-4-6-8-12/h9-12,19H,4-8H2,1-3H3
InChIKey
WAXALNJIWXZXGK-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-cyclohexyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 163.3
[M+Na]+ 283.16686 175.3
[M+NH4]+ 278.21146 171.4
[M+K]+ 299.14080 168.6
[M-H]- 259.17036 166.6
[M+Na-2H]- 281.15231 169.3
[M]+ 260.17709 166.0
[M]- 260.17819 166.0
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.