CID 53802263

1-(3-oxobutyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C8H9NO3/c1-6(10)4-5-9-7(11)2-3-8(9)12/h2-3H,4-5H2,1H3
InChIKey
KJSBCHYZICJDPV-UHFFFAOYSA-N
Compound name
1-(3-oxobutyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.9
[M+Na]+ 190.047458 140.9
[M-H]- 166.050964 134.5
[M+NH4]+ 185.092063 153.0
[M+K]+ 206.021398 139.8
[M+H-H2O]+ 150.055500 126.3
[M+HCOO]- 212.056441 155.0
[M+CH3COO]- 226.072091 177.9
[M+Na-2H]- 188.032906 134.9
[M]+ 167.05769142 133.6
[M]- 167.05878858 133.6
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