CID 14694512

3-(prop-2-en-1-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C7H9NO2
SMILES
C=CCC1CC(=O)NC1=O
InChI
InChI=1S/C7H9NO2/c1-2-3-5-4-6(9)8-7(5)10/h2,5H,1,3-4H2,(H,8,9,10)
InChIKey
TZUHAFZBTABDSM-UHFFFAOYSA-N
Compound name
3-prop-2-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2229
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 127.5
[M+Na]+ 162.05254 135.9
[M-H]- 138.05604 128.4
[M+NH4]+ 157.09714 149.1
[M+K]+ 178.02648 133.3
[M+H-H2O]+ 122.06058 122.3
[M+HCOO]- 184.06152 148.7
[M+CH3COO]- 198.07717 169.7
[M+Na-2H]- 160.03799 130.6
[M]+ 139.06277 124.6
[M]- 139.06387 124.6
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