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

83
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 121.2
[M+Na]+ 154.01424 133.6
[M+NH4]+ 149.05884 129.7
[M+K]+ 169.98818 129.7
[M-H]- 130.01774 122.2
[M+Na-2H]- 151.99969 127.3
[M]+ 131.02447 123.3
[M]- 131.02557 123.3
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