CID 91623816

1823582-76-8

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1CC2=C(CC1N)C=C(C(=O)N2)C#N
InChI
InChI=1S/C10H11N3O/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h3,8H,1-2,4,12H2,(H,13,14)
InChIKey
VZOZPIRBGSHNKC-UHFFFAOYSA-N
Compound name
6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 144.9
[M+Na]+ 212.07943 156.2
[M+NH4]+ 207.12403 149.4
[M+K]+ 228.05337 147.0
[M-H]- 188.08293 139.4
[M+Na-2H]- 210.06488 146.9
[M]+ 189.08966 143.9
[M]- 189.09076 143.9
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.