CID 21669713

3-(1h-pyrazol-1-yl)aniline

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC(=CC(=C1)N2C=CC=N2)N
InChI
InChI=1S/C9H9N3/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,10H2
InChIKey
GDTZRPGWZFOSSY-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

159.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 132.1
[M+Na]+ 182.06887 145.4
[M+NH4]+ 177.11347 140.9
[M+K]+ 198.04281 140.5
[M-H]- 158.07237 135.8
[M+Na-2H]- 180.05432 141.3
[M]+ 159.07910 134.9
[M]- 159.08020 134.9
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

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