CID 293641

5057-12-5

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CC2=C(CCC(=O)N2)C(=O)C1
InChI
InChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5H2,(H,10,12)
InChIKey
KNRFNTVMEIIKEB-UHFFFAOYSA-N
Compound name
1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

29
Patents

165.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.2
[M+Na]+ 188.068198 139.8
[M-H]- 164.071704 134.3
[M+NH4]+ 183.112803 152.7
[M+K]+ 204.042138 136.8
[M+H-H2O]+ 148.076240 127.1
[M+HCOO]- 210.077181 149.8
[M+CH3COO]- 224.092831 174.9
[M+Na-2H]- 186.053646 138.8
[M]+ 165.07843142 127.0
[M]- 165.07952858 127.0
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