CID 69338

Isopropyl hydroxyacetate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC(C)OC(=O)CO

InChI

InChI=1S/C5H10O3/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3

InChIKey

AZKIQQBSVTWCGY-UHFFFAOYSA-N

Compound name

propan-2-yl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 549
Patents: 118.062996 Da
Monoisotopic Mass: 0.3
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]+	119.070272	123.0
[M+Na]+	141.052214	130.1
[M-H]-	117.055720	122.3
[M+NH4]+	136.096819	144.9
[M+K]+	157.026154	131.0
[M+H-H2O]+	101.060256	118.9
[M+HCOO]-	163.061197	144.6
[M+CH3COO]-	177.076847	167.5
[M+Na-2H]-	139.037662	127.6
[M]+	118.06244742	124.3
[M]-	118.06354458	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe