CID 1380716

4-chloro-5-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C4H6ClN3
SMILES
CC1=C(C(=NN1)N)Cl
InChI
InChI=1S/C4H6ClN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKey
FRXHUIQTYMOZLO-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

156
Patents

131.02502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.03230 123.4
[M+Na]+ 154.01424 134.1
[M-H]- 130.01774 123.2
[M+NH4]+ 149.05884 144.6
[M+K]+ 169.98818 130.2
[M+H-H2O]+ 114.02228 117.8
[M+HCOO]- 176.02322 141.8
[M+CH3COO]- 190.03887 169.4
[M+Na-2H]- 151.99969 128.6
[M]+ 131.02447 121.9
[M]- 131.02557 121.9
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