CID 70717

N-methylsuccinimide

Structural Information

Molecular Formula
C5H7NO2
SMILES
CN1C(=O)CCC1=O
InChI
InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKey
KYEACNNYFNZCST-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

3672
Patents

113.047676 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 121.2
[M+Na]+ 136.03689 131.7
[M+NH4]+ 131.08150 129.1
[M+K]+ 152.01083 128.7
[M-H]- 112.04040 121.1
[M+Na-2H]- 134.02234 125.1
[M]+ 113.04713 122.3
[M]- 113.04822 122.3
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