CID 22325365

Lithium(1+) 6-hydroxy-4-methylhexanoate

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CC(CCC(=O)O)CCO

InChI

InChI=1S/C7H14O3/c1-6(4-5-8)2-3-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)

InChIKey

MSWBISKOQFARTB-UHFFFAOYSA-N

Compound name

6-hydroxy-4-methylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 146.0943 Da
Monoisotopic Mass: 0.5
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]+	147.101576	133.2
[M+Na]+	169.083518	138.9
[M-H]-	145.087024	130.5
[M+NH4]+	164.128123	153.1
[M+K]+	185.057458	138.3
[M+H-H2O]+	129.091560	128.8
[M+HCOO]-	191.092501	152.5
[M+CH3COO]-	205.108151	171.6
[M+Na-2H]-	167.068966	136.0
[M]+	146.09375142	133.3
[M]-	146.09484858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe