CID 3550866

3,4-dimethylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1C(C(=O)NC1=O)C
InChI
InChI=1S/C6H9NO2/c1-3-4(2)6(9)7-5(3)8/h3-4H,1-2H3,(H,7,8,9)
InChIKey
KKDOXQYWUITYNG-UHFFFAOYSA-N
Compound name
3,4-dimethylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

611
Patents

127.06333 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.4
[M+Na]+ 150.052548 132.8
[M-H]- 126.056054 124.9
[M+NH4]+ 145.097153 145.9
[M+K]+ 166.026488 131.2
[M+H-H2O]+ 110.060590 118.7
[M+HCOO]- 172.061531 144.7
[M+CH3COO]- 186.077181 168.8
[M+Na-2H]- 148.037996 126.4
[M]+ 127.06278142 121.2
[M]- 127.06387858 121.2
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