CID 19711082

2742660-85-9

Structural Information

Molecular Formula

C₇H₁₂ClNO₃

SMILES

C1COCCN1CCOC(=O)Cl

InChI

InChI=1S/C7H12ClNO3/c8-7(10)12-6-3-9-1-4-11-5-2-9/h1-6H2

InChIKey

LVILUBGGBUNYPQ-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 193.05057 Da
Monoisotopic Mass: 0.8
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]+	194.05785	138.6
[M+Na]+	216.03979	144.4
[M-H]-	192.04329	140.4
[M+NH4]+	211.08439	155.8
[M+K]+	232.01373	144.0
[M+H-H2O]+	176.04783	132.6
[M+HCOO]-	238.04877	152.5
[M+CH3COO]-	252.06442	178.2
[M+Na-2H]-	214.02524	144.1
[M]+	193.05002	139.3
[M]-	193.05112	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe