CID 139597328

Ns00052704

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C(C)(C)C)C(C)(C)C1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C17H26O2/c1-11(18)14-10-13(8-9-15(14)19)17(6,7)12(2)16(3,4)5/h8-10,12,19H,1-7H3
InChIKey
UNHBYIOMUOBEIM-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-5-(2,3,4,4-tetramethylpentan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 161.9
[M+Na]+ 285.182488 168.1
[M-H]- 261.185994 164.4
[M+NH4]+ 280.227093 178.7
[M+K]+ 301.156428 166.0
[M+H-H2O]+ 245.190530 157.2
[M+HCOO]- 307.191471 178.0
[M+CH3COO]- 321.207121 200.2
[M+Na-2H]- 283.167936 163.7
[M]+ 262.19272142 163.7
[M]- 262.19381858 163.7
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

No patent data available for this compound.