CID 63338282

3-(1h-pyrazol-4-yl)aniline

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC(=CC(=C1)N)C2=CNN=C2
InChI
InChI=1S/C9H9N3/c10-9-3-1-2-7(4-9)8-5-11-12-6-8/h1-6H,10H2,(H,11,12)
InChIKey
MSVASNFGSQCRCN-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

159.07965 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 131.3
[M+Na]+ 182.06887 139.8
[M-H]- 158.07237 134.1
[M+NH4]+ 177.11347 150.0
[M+K]+ 198.04281 135.7
[M+H-H2O]+ 142.07691 123.6
[M+HCOO]- 204.07785 154.5
[M+CH3COO]- 218.09350 144.5
[M+Na-2H]- 180.05432 137.9
[M]+ 159.07910 127.3
[M]- 159.08020 127.3
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