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 162.5
[M+Na]+ 283.16686 167.8
[M-H]- 259.17036 167.3
[M+NH4]+ 278.21146 178.9
[M+K]+ 299.14080 164.1
[M+H-H2O]+ 243.17490 156.1
[M+HCOO]- 305.17584 179.1
[M+CH3COO]- 319.19149 195.9
[M+Na-2H]- 281.15231 164.3
[M]+ 260.17709 159.3
[M]- 260.17819 159.3
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.