CID 96183

1-(2-chloroethyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C6H8ClNO2
SMILES
C1CC(=O)N(C1=O)CCCl
InChI
InChI=1S/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2
InChIKey
QJZNIHHRDQKAFU-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

161.02435 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.031626 130.2
[M+Na]+ 184.013568 139.8
[M-H]- 160.017074 132.4
[M+NH4]+ 179.058173 152.4
[M+K]+ 199.987508 137.0
[M+H-H2O]+ 144.021610 125.4
[M+HCOO]- 206.022551 148.4
[M+CH3COO]- 220.038201 174.1
[M+Na-2H]- 181.999016 133.8
[M]+ 161.02380142 131.2
[M]- 161.02489858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe