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 142.4
[M+Na]+ 212.07943 152.6
[M-H]- 188.08293 143.3
[M+NH4]+ 207.12403 158.9
[M+K]+ 228.05337 147.0
[M+H-H2O]+ 172.08747 129.8
[M+HCOO]- 234.08841 158.2
[M+CH3COO]- 248.10406 194.9
[M+Na-2H]- 210.06488 147.4
[M]+ 189.08966 132.7
[M]- 189.09076 132.7
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.