CID 2756469

3-amino-5-(4-methoxyphenyl)pyrazole

Structural Information

Molecular Formula
C10H11N3O
SMILES
COC1=CC=C(C=C1)C2=CC(=NN2)N
InChI
InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChIKey
UPAGEJODHNVJNM-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

201
Patents

189.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.3
[M+Na]+ 212.07943 148.1
[M-H]- 188.08293 142.3
[M+NH4]+ 207.12403 157.0
[M+K]+ 228.05337 144.3
[M+H-H2O]+ 172.08747 131.4
[M+HCOO]- 234.08841 162.3
[M+CH3COO]- 248.10406 181.2
[M+Na-2H]- 210.06488 144.5
[M]+ 189.08966 137.4
[M]- 189.09076 137.4
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