CID 91623816

6-amino-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile hydrochloride

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]+ 190.097486 142.4
[M+Na]+ 212.079428 152.6
[M-H]- 188.082934 143.3
[M+NH4]+ 207.124033 158.9
[M+K]+ 228.053368 147.0
[M+H-H2O]+ 172.087470 129.8
[M+HCOO]- 234.088411 158.2
[M+CH3COO]- 248.104061 194.9
[M+Na-2H]- 210.064876 147.4
[M]+ 189.08966142 132.7
[M]- 189.09075858 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.