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

literature stripe

Patent stripe

patents stripe