CID 24841368

P-(3-aminopyrazol-4-yl)phenol hydrobromide

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC(=CC=C1C2=C(NN=C2)N)O
InChI
InChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12)
InChIKey
WRERTDQKTDJJIZ-UHFFFAOYSA-N
Compound name
4-(5-amino-1H-pyrazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

175.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 136.1
[M+Na]+ 198.06377 148.1
[M+NH4]+ 193.10837 143.6
[M+K]+ 214.03771 144.6
[M-H]- 174.06727 138.3
[M+Na-2H]- 196.04922 143.4
[M]+ 175.07400 138.1
[M]- 175.07510 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.