CID 96258

40478-24-8

Structural Information

Molecular Formula
C9H14Cl2N2O2
SMILES
C1CC(=O)N(C1=O)CN(CCCl)CCCl
InChI
InChI=1S/C9H14Cl2N2O2/c10-3-5-12(6-4-11)7-13-8(14)1-2-9(13)15/h1-7H2
InChIKey
LJPBDPWGKBOZBD-UHFFFAOYSA-N
Compound name
1-[bis(2-chloroethyl)aminomethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.04323 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05051 155.4
[M+Na]+ 275.03245 163.2
[M-H]- 251.03595 157.7
[M+NH4]+ 270.07705 174.5
[M+K]+ 291.00639 159.3
[M+H-H2O]+ 235.04049 149.7
[M+HCOO]- 297.04143 168.8
[M+CH3COO]- 311.05708 196.0
[M+Na-2H]- 273.01790 156.0
[M]+ 252.04268 158.8
[M]- 252.04378 158.8
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

No patent data available for this compound.