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
2
Annotation Hits

0
References

26
Patents

161.02435 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03163 130.2
[M+Na]+ 184.01357 139.8
[M-H]- 160.01707 132.4
[M+NH4]+ 179.05817 152.4
[M+K]+ 199.98751 137.0
[M+H-H2O]+ 144.02161 125.4
[M+HCOO]- 206.02255 148.4
[M+CH3COO]- 220.03820 174.1
[M+Na-2H]- 181.99902 133.8
[M]+ 161.02380 131.2
[M]- 161.02490 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