CID 525916

4-hydroxypiperitone

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CC(=O)C(CC1O)C(C)C

InChI

InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-9,11H,4-5H2,1-3H3

InChIKey

NCNOFEZLRJLBDH-UHFFFAOYSA-N

Compound name

4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.13068 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.137956	137.7
[M+Na]+	193.119898	144.0
[M-H]-	169.123404	139.9
[M+NH4]+	188.164503	158.0
[M+K]+	209.093838	142.6
[M+H-H2O]+	153.127940	133.1
[M+HCOO]-	215.128881	155.7
[M+CH3COO]-	229.144531	180.3
[M+Na-2H]-	191.105346	138.8
[M]+	170.13013142	134.5
[M]-	170.13122858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe