CID 62679434

1-(3-chlorophenyl)-5-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CC1=CC(=NN1C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C10H10ClN3/c1-7-5-10(12)13-14(7)9-4-2-3-8(11)6-9/h2-6H,1H3,(H2,12,13)
InChIKey
SWIDUGSHKPXBPE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 143.5
[M+Na]+ 230.04554 154.5
[M-H]- 206.04904 147.9
[M+NH4]+ 225.09014 162.4
[M+K]+ 246.01948 149.2
[M+H-H2O]+ 190.05358 136.1
[M+HCOO]- 252.05452 163.1
[M+CH3COO]- 266.07017 157.0
[M+Na-2H]- 228.03099 147.8
[M]+ 207.05577 144.4
[M]- 207.05687 144.4
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