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

53
Patents

229.11028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 151.3
[M+Na]+ 252.09950 160.5
[M-H]- 228.10300 154.5
[M+NH4]+ 247.14410 171.3
[M+K]+ 268.07344 156.0
[M+H-H2O]+ 212.10754 144.9
[M+HCOO]- 274.10848 173.1
[M+CH3COO]- 288.12413 191.7
[M+Na-2H]- 250.08495 154.5
[M]+ 229.10973 153.5
[M]- 229.11083 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