CID 17046910

2-isopropoxypropanoic acid

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

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

InChI

InChI=1S/C6H12O3/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8)

InChIKey

MWDCBSZUHUONCE-UHFFFAOYSA-N

Compound name

2-propan-2-yloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 427
Patents: 132.07864 Da
Monoisotopic Mass: 0.9
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]+	133.08592	127.5
[M+Na]+	155.06786	133.9
[M-H]-	131.07136	126.6
[M+NH4]+	150.11246	148.7
[M+K]+	171.04180	135.0
[M+H-H2O]+	115.07590	123.3
[M+HCOO]-	177.07684	147.7
[M+CH3COO]-	191.09249	172.2
[M+Na-2H]-	153.05331	130.3
[M]+	132.07809	128.6
[M]-	132.07919	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe