CID 339434

2-(pent-4-en-1-yl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C13H13NO2
SMILES
C=CCCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H13NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h2,4-5,7-8H,1,3,6,9H2
InChIKey
BYKYMPVVZNUAEX-UHFFFAOYSA-N
Compound name
2-pent-4-enylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

215.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.6
[M+Na]+ 238.083858 156.3
[M-H]- 214.087364 150.0
[M+NH4]+ 233.128463 167.2
[M+K]+ 254.057798 152.1
[M+H-H2O]+ 198.091900 140.5
[M+HCOO]- 260.092841 168.8
[M+CH3COO]- 274.108491 188.7
[M+Na-2H]- 236.069306 150.3
[M]+ 215.09409142 148.5
[M]- 215.09518858 148.5
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