CID 267450

15450-69-8

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CC2=C(C=CC(=O)N2)C(=O)C1
InChI
InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-5H,1-3H2,(H,10,12)
InChIKey
AUMQUQJTKCJMPA-UHFFFAOYSA-N
Compound name
1,6,7,8-tetrahydroquinoline-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

238
Patents

163.06332 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.4
[M+Na]+ 186.05254 144.8
[M+NH4]+ 181.09714 140.1
[M+K]+ 202.02648 138.3
[M-H]- 162.05604 133.0
[M+Na-2H]- 184.03799 137.4
[M]+ 163.06277 133.6
[M]- 163.06387 133.6
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