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]+ 171.112806 135.9
[M+Na]+ 193.094748 144.0
[M-H]- 169.098254 138.4
[M+NH4]+ 188.139353 157.0
[M+K]+ 209.068688 142.6
[M+H-H2O]+ 153.102790 130.1
[M+HCOO]- 215.103731 159.1
[M+CH3COO]- 229.119381 182.4
[M+Na-2H]- 191.080196 138.7
[M]+ 170.10498142 135.6
[M]- 170.10607858 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.