CID 16788188

54052-99-2

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CC(=O)N(C1=O)CCCN
InChI
InChI=1S/C7H12N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5,8H2
InChIKey
NDRCCTSDWGOJPZ-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

156.08987 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 132.3
[M+Na]+ 179.07909 139.8
[M-H]- 155.08259 134.0
[M+NH4]+ 174.12369 153.3
[M+K]+ 195.05303 138.3
[M+H-H2O]+ 139.08713 126.2
[M+HCOO]- 201.08807 155.2
[M+CH3COO]- 215.10372 177.5
[M+Na-2H]- 177.06454 135.2
[M]+ 156.08932 130.2
[M]- 156.09042 130.2
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