CID 43635902

1-methyl-3-(propylamino)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CCCNC1CC(=O)N(C1=O)C
InChI
InChI=1S/C8H14N2O2/c1-3-4-9-6-5-7(11)10(2)8(6)12/h6,9H,3-5H2,1-2H3
InChIKey
DLIUQBXEHKZQEP-UHFFFAOYSA-N
Compound name
1-methyl-3-(propylamino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 135.9
[M+Na]+ 193.09475 144.0
[M-H]- 169.09825 138.4
[M+NH4]+ 188.13935 157.0
[M+K]+ 209.06869 142.6
[M+H-H2O]+ 153.10279 130.1
[M+HCOO]- 215.10373 159.1
[M+CH3COO]- 229.11938 182.4
[M+Na-2H]- 191.08020 138.7
[M]+ 170.10498 135.6
[M]- 170.10608 135.6
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.