CID 332277

N-aminosuccinimide hydrochloride

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C1CC(=O)N(C1=O)N
InChI
InChI=1S/C4H6N2O2/c5-6-3(7)1-2-4(6)8/h1-2,5H2
InChIKey
FLTYUHLOJTZHAP-UHFFFAOYSA-N
Compound name
1-aminopyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

478
Patents

114.04293 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 118.6
[M+Na]+ 137.032148 127.4
[M-H]- 113.035654 120.8
[M+NH4]+ 132.076753 141.3
[M+K]+ 153.006088 126.7
[M+H-H2O]+ 97.040190 113.1
[M+HCOO]- 159.041131 142.4
[M+CH3COO]- 173.056781 168.3
[M+Na-2H]- 135.017596 123.0
[M]+ 114.04238142 115.4
[M]- 114.04347858 115.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe