CID 61160

Isopropyl lactate

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

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

InChI

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

InChIKey

KIWATKANDHUUOB-UHFFFAOYSA-N

Compound name

propan-2-yl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 6250
Patents: 132.07864 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]+	133.085916	127.7
[M+Na]+	155.067858	134.2
[M-H]-	131.071364	126.8
[M+NH4]+	150.112463	149.0
[M+K]+	171.041798	135.3
[M+H-H2O]+	115.075900	123.5
[M+HCOO]-	177.076841	148.0
[M+CH3COO]-	191.092491	171.5
[M+Na-2H]-	153.053306	130.5
[M]+	132.07809142	128.7
[M]-	132.07918858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe