CID 12422290

52898-33-6

Structural Information

Molecular Formula
C14H15NO2
SMILES
C=CCCCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H15NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h2,5-6,8-9H,1,3-4,7,10H2
InChIKey
IORZJOJSTUVEQE-UHFFFAOYSA-N
Compound name
2-hex-5-enylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

229.11028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.117556 151.3
[M+Na]+ 252.099498 160.5
[M-H]- 228.103004 154.5
[M+NH4]+ 247.144103 171.3
[M+K]+ 268.073438 156.0
[M+H-H2O]+ 212.107540 144.9
[M+HCOO]- 274.108481 173.1
[M+CH3COO]- 288.124131 191.7
[M+Na-2H]- 250.084946 154.5
[M]+ 229.10973142 153.5
[M]- 229.11082858 153.5
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