CID 3586286

5-methyl-1-phenyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=CC(=NN1C2=CC=CC=C2)N
InChI
InChI=1S/C10H11N3/c1-8-7-10(11)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,11,12)
InChIKey
RRYCYBOUQALXRP-UHFFFAOYSA-N
Compound name
5-methyl-1-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

173.09529 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe