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

2231
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 127.5
[M+Na]+ 162.052538 135.9
[M-H]- 138.056044 128.4
[M+NH4]+ 157.097143 149.1
[M+K]+ 178.026478 133.3
[M+H-H2O]+ 122.060580 122.3
[M+HCOO]- 184.061521 148.7
[M+CH3COO]- 198.077171 169.7
[M+Na-2H]- 160.037986 130.6
[M]+ 139.06277142 124.6
[M]- 139.06386858 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