CID 1507240

6-aminoquinoline-5-carbonitrile

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC2=C(C=CC(=C2C#N)N)N=C1
InChI
InChI=1S/C10H7N3/c11-6-8-7-2-1-5-13-10(7)4-3-9(8)12/h1-5H,12H2
InChIKey
PYCIBXGKTGBHHF-UHFFFAOYSA-N
Compound name
6-aminoquinoline-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

169.064 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe