CID 43200271

3-(aminomethyl)pyrrolidine-2,5-dione hydrochloride

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1C(C(=O)NC1=O)CN
InChI
InChI=1S/C5H8N2O2/c6-2-3-1-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)
InChIKey
GLEJFOKLZHFGPI-UHFFFAOYSA-N
Compound name
3-(aminomethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.05858 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 124.1
[M+Na]+ 151.047798 132.0
[M-H]- 127.051304 124.7
[M+NH4]+ 146.092403 145.4
[M+K]+ 167.021738 130.1
[M+H-H2O]+ 111.055840 118.6
[M+HCOO]- 173.056781 146.1
[M+CH3COO]- 187.072431 168.8
[M+Na-2H]- 149.033246 127.5
[M]+ 128.05803142 119.3
[M]- 128.05912858 119.3
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