CID 71756926

4-aminoquinoline-2-carbonitrile

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C#N)N
InChI
InChI=1S/C10H7N3/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-5H,(H2,12,13)
InChIKey
LEMXDVQXIZGAIZ-UHFFFAOYSA-N
Compound name
4-aminoquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 137.5
[M+Na]+ 192.05322 149.0
[M-H]- 168.05672 139.8
[M+NH4]+ 187.09782 155.3
[M+K]+ 208.02716 143.7
[M+H-H2O]+ 152.06126 124.4
[M+HCOO]- 214.06220 156.9
[M+CH3COO]- 228.07785 149.4
[M+Na-2H]- 190.03867 145.4
[M]+ 169.06345 131.0
[M]- 169.06455 131.0
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

patents stripe