CID 43543037

1-(pyridin-4-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CN=CC=C1N2C(=CC=N2)N
InChI
InChI=1S/C8H8N4/c9-8-3-6-11-12(8)7-1-4-10-5-2-7/h1-6H,9H2
InChIKey
DLTALKKLSLUOPY-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

160.07489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 130.9
[M+Na]+ 183.06411 140.3
[M-H]- 159.06761 133.7
[M+NH4]+ 178.10871 148.8
[M+K]+ 199.03805 137.1
[M+H-H2O]+ 143.07215 122.1
[M+HCOO]- 205.07309 154.6
[M+CH3COO]- 219.08874 144.4
[M+Na-2H]- 181.04956 138.4
[M]+ 160.07434 128.9
[M]- 160.07544 128.9
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