CID 56464

92647-07-9

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(CC(C=C)C1C2=CC=CC=C2C(=O)NC1=O)O
InChI
InChI=1S/C15H17NO3/c1-3-10(8-9(2)17)13-11-6-4-5-7-12(11)14(18)16-15(13)19/h3-7,9-10,13,17H,1,8H2,2H3,(H,16,18,19)
InChIKey
SMJFHPOAVXAXDR-UHFFFAOYSA-N
Compound name
4-(5-hydroxyhex-1-en-3-yl)-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 160.0
[M+Na]+ 282.11007 170.6
[M+NH4]+ 277.15467 166.1
[M+K]+ 298.08401 165.4
[M-H]- 258.11357 159.6
[M+Na-2H]- 280.09552 162.2
[M]+ 259.12030 161.0
[M]- 259.12140 161.0
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.