CID 16842

N-ethylsuccinimide

Structural Information

Molecular Formula
C6H9NO2
SMILES
CCN1C(=O)CCC1=O
InChI
InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKey
GHAZCVNUKKZTLG-UHFFFAOYSA-N
Compound name
1-ethylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

21586
Patents

127.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.1
[M+Na]+ 150.052548 132.0
[M-H]- 126.056054 125.6
[M+NH4]+ 145.097153 145.9
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 117.8
[M+HCOO]- 172.061531 145.9
[M+CH3COO]- 186.077181 170.2
[M+Na-2H]- 148.037996 127.3
[M]+ 127.06278142 122.4
[M]- 127.06387858 122.4
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