CID 57663101

Tert-butyl 2-(3-hydroxypropoxy)acetate

Structural Information

Molecular Formula

C₉H₁₈O₄

SMILES

CC(C)(C)OC(=O)COCCCO

InChI

InChI=1S/C9H18O4/c1-9(2,3)13-8(11)7-12-6-4-5-10/h10H,4-7H2,1-3H3

InChIKey

SWTVEGAUNLLSQS-UHFFFAOYSA-N

Compound name

tert-butyl 2-(3-hydroxypropoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 190.12051 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]+	191.12779	143.2
[M+Na]+	213.10973	151.1
[M+NH4]+	208.15433	148.8
[M+K]+	229.08367	147.9
[M-H]-	189.11323	140.0
[M+Na-2H]-	211.09518	144.5
[M]+	190.11996	143.0
[M]-	190.12106	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe