CID 19768920

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

Structural Information

Molecular Formula
C4H6ClN3
SMILES
CN1C=C(C(=N1)Cl)N
InChI
InChI=1S/C4H6ClN3/c1-8-2-3(6)4(5)7-8/h2H,6H2,1H3
InChIKey
JIDICTVNYOIKDK-UHFFFAOYSA-N
Compound name
3-chloro-1-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

131.02502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.03230 122.7
[M+Na]+ 154.01424 133.9
[M-H]- 130.01774 123.8
[M+NH4]+ 149.05884 144.6
[M+K]+ 169.98818 130.9
[M+H-H2O]+ 114.02228 116.8
[M+HCOO]- 176.02322 142.6
[M+CH3COO]- 190.03887 171.9
[M+Na-2H]- 151.99969 128.4
[M]+ 131.02447 123.1
[M]- 131.02557 123.1
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