CID 11815394

Tert-butyl 2-hydroxyacetate

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CC(C)(C)OC(=O)CO

InChI

InChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h7H,4H2,1-3H3

InChIKey

WINGEFIITRDOLJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1611
Patents: 132.07864 Da
Monoisotopic Mass: 0.4
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]+	133.085916	127.0
[M+Na]+	155.067858	134.6
[M-H]-	131.071364	126.4
[M+NH4]+	150.112463	148.7
[M+K]+	171.041798	135.1
[M+H-H2O]+	115.075900	123.5
[M+HCOO]-	177.076841	147.8
[M+CH3COO]-	191.092491	169.3
[M+Na-2H]-	153.053306	133.2
[M]+	132.07809142	128.8
[M]-	132.07918858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe