CID 84639

Gd(tmhd)3

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)(C)C(=CC(=O)C(C)(C)C)O

InChI

InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3

InChIKey

SOZFXLUMSLXZFW-UHFFFAOYSA-N

Compound name

5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 889
Patents: 184.14633 Da
Monoisotopic Mass: 3.5
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]+	185.15361	143.2
[M+Na]+	207.13555	149.4
[M-H]-	183.13905	142.3
[M+NH4]+	202.18015	163.0
[M+K]+	223.10949	148.5
[M+H-H2O]+	167.14359	140.0
[M+HCOO]-	229.14453	159.9
[M+CH3COO]-	243.16018	182.1
[M+Na-2H]-	205.12100	146.6
[M]+	184.14578	143.6
[M]-	184.14688	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe