CID 170276

40137-60-8

Structural Information

Molecular Formula

C₉H₁₇ClO₃

SMILES

CC(C)COCC(C)OC(=O)CCl

InChI

InChI=1S/C9H17ClO3/c1-7(2)5-12-6-8(3)13-9(11)4-10/h7-8H,4-6H2,1-3H3

InChIKey

YKCNOWIHQSJPHL-UHFFFAOYSA-N

Compound name

1-(2-methylpropoxy)propan-2-yl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.08662 Da
Monoisotopic Mass: 2.4
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]+	209.09390	145.4
[M+Na]+	231.07584	151.9
[M-H]-	207.07934	145.4
[M+NH4]+	226.12044	165.3
[M+K]+	247.04978	150.9
[M+H-H2O]+	191.08388	141.4
[M+HCOO]-	253.08482	161.8
[M+CH3COO]-	267.10047	186.9
[M+Na-2H]-	229.06129	146.9
[M]+	208.08607	151.4
[M]-	208.08717	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe