CID 93650

57375-45-8

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]+ 263.20055 163.3
[M+Na]+ 285.18249 168.7
[M-H]- 261.18599 165.4
[M+NH4]+ 280.22709 179.8
[M+K]+ 301.15643 166.5
[M+H-H2O]+ 245.19053 157.9
[M+HCOO]- 307.19147 179.9
[M+CH3COO]- 321.20712 201.3
[M+Na-2H]- 283.16794 162.7
[M]+ 262.19272 164.9
[M]- 262.19382 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.