CID 3471029

(2-chloro-ethyl)-carbamic acid 2,5-dioxo-pyrrolidin-1-yl ester

Structural Information

Molecular Formula
C7H9ClN2O4
SMILES
C1CC(=O)N(C1=O)OC(=O)NCCCl
InChI
InChI=1S/C7H9ClN2O4/c8-3-4-9-7(13)14-10-5(11)1-2-6(10)12/h1-4H2,(H,9,13)
InChIKey
VXNHCPPBYBZRRS-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-(2-chloroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.02509 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03237 143.1
[M+Na]+ 243.01431 151.3
[M-H]- 219.01781 145.4
[M+NH4]+ 238.05891 162.5
[M+K]+ 258.98825 149.1
[M+H-H2O]+ 203.02235 137.7
[M+HCOO]- 265.02329 161.7
[M+CH3COO]- 279.03894 184.9
[M+Na-2H]- 240.99976 145.6
[M]+ 220.02454 145.3
[M]- 220.02564 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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