CID 111364

68797-46-6

Structural Information

Molecular Formula

C₉H₁₇ClO₃

SMILES

CCCCOCCOC(=O)C(C)Cl

InChI

InChI=1S/C9H17ClO3/c1-3-4-5-12-6-7-13-9(11)8(2)10/h8H,3-7H2,1-2H3

InChIKey

XRATVFQSBIVRAJ-UHFFFAOYSA-N

Compound name

2-butoxyethyl 2-chloropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 208.08662 Da
Monoisotopic Mass: 2.2
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	145.6
[M+Na]+	231.07584	152.3
[M-H]-	207.07934	145.5
[M+NH4]+	226.12044	165.5
[M+K]+	247.04978	150.8
[M+H-H2O]+	191.08388	141.5
[M+HCOO]-	253.08482	163.0
[M+CH3COO]-	267.10047	186.1
[M+Na-2H]-	229.06129	148.3
[M]+	208.08607	152.2
[M]-	208.08717	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe