CID 357830

Nsc617363

Structural Information

Molecular Formula
C9H13NO2
SMILES
C=CCCCN1C(=O)CCC1=O
InChI
InChI=1S/C9H13NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h2H,1,3-7H2
InChIKey
QNIVFJNQCOPSJP-UHFFFAOYSA-N
Compound name
1-pent-4-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.6
[M+Na]+ 190.08386 143.5
[M-H]- 166.08736 137.6
[M+NH4]+ 185.12846 156.8
[M+K]+ 206.05780 141.4
[M+H-H2O]+ 150.09190 129.8
[M+HCOO]- 212.09284 157.7
[M+CH3COO]- 226.10849 178.5
[M+Na-2H]- 188.06931 138.2
[M]+ 167.09409 135.4
[M]- 167.09519 135.4
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

No patent data available for this compound.