CID 26087948

Tert-butyl 4-hydroxybutanoate

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CC(C)(C)OC(=O)CCCO

InChI

InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3

InChIKey

RXGFTUPFXKYRMW-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 535
Patents: 160.10994 Da
Monoisotopic Mass: 0.7
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]+	161.117216	136.5
[M+Na]+	183.099158	143.1
[M-H]-	159.102664	135.5
[M+NH4]+	178.143763	157.0
[M+K]+	199.073098	143.2
[M+H-H2O]+	143.107200	132.5
[M+HCOO]-	205.108141	156.6
[M+CH3COO]-	219.123791	175.3
[M+Na-2H]-	181.084606	141.5
[M]+	160.10939142	139.0
[M]-	160.11048858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe