CID 3022086

Pyrazole, 3-amino-1-methyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C10H11N3
SMILES
CN1C=C(C(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3/c1-13-7-9(10(11)12-13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12)
InChIKey
OLKUXLRZLWXAHW-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

173.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 135.8
[M+Na]+ 196.08451 145.2
[M-H]- 172.08801 140.1
[M+NH4]+ 191.12911 154.9
[M+K]+ 212.05845 141.7
[M+H-H2O]+ 156.09255 127.9
[M+HCOO]- 218.09349 160.2
[M+CH3COO]- 232.10914 149.5
[M+Na-2H]- 194.06996 141.5
[M]+ 173.09474 134.4
[M]- 173.09584 134.4
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