CID 10352548

Chloroethyl pca

Structural Information

Molecular Formula

C₇H₁₀ClNO₃

SMILES

C1CC(=O)NC1C(=O)OCCCl

InChI

InChI=1S/C7H10ClNO3/c8-3-4-12-7(11)5-1-2-6(10)9-5/h5H,1-4H2,(H,9,10)

InChIKey

WRQQVUIATYAFKC-UHFFFAOYSA-N

Compound name

2-chloroethyl 5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.03493 Da
Monoisotopic Mass: 0.2
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]+	192.04221	138.9
[M+Na]+	214.02415	146.5
[M-H]-	190.02765	139.4
[M+NH4]+	209.06875	158.9
[M+K]+	229.99809	143.5
[M+H-H2O]+	174.03219	133.8
[M+HCOO]-	236.03313	154.5
[M+CH3COO]-	250.04878	175.6
[M+Na-2H]-	212.00960	141.0
[M]+	191.03438	138.8
[M]-	191.03548	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe