CID 93650

1-[2-hydroxy-5-(2,4,5-trimethylhexan-2-yl)phenyl]ethanone

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C)C(C)CC(C)(C)C1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C17H26O2/c1-11(2)12(3)10-17(5,6)14-7-8-16(19)15(9-14)13(4)18/h7-9,11-12,19H,10H2,1-6H3
InChIKey
JDWVDZJJPQIVJI-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-5-(2,4,5-trimethylhexan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 163.3
[M+Na]+ 285.182488 168.7
[M-H]- 261.185994 165.4
[M+NH4]+ 280.227093 179.8
[M+K]+ 301.156428 166.5
[M+H-H2O]+ 245.190530 157.9
[M+HCOO]- 307.191471 179.9
[M+CH3COO]- 321.207121 201.3
[M+Na-2H]- 283.167936 162.7
[M]+ 262.19272142 164.9
[M]- 262.19381858 164.9
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.