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

239
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 130.0
[M+Na]+ 186.05254 138.8
[M-H]- 162.05604 131.9
[M+NH4]+ 181.09714 149.9
[M+K]+ 202.02648 135.3
[M+H-H2O]+ 146.06058 124.0
[M+HCOO]- 208.06152 149.6
[M+CH3COO]- 222.07717 174.2
[M+Na-2H]- 184.03799 137.7
[M]+ 163.06277 126.7
[M]- 163.06387 126.7
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