CID 19616929

4-chloro-1,5-dimethyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H8ClN3
SMILES
CC1=C(C(=NN1C)N)Cl
InChI
InChI=1S/C5H8ClN3/c1-3-4(6)5(7)8-9(3)2/h1-2H3,(H2,7,8)
InChIKey
SCZVIPXNYIVPRK-UHFFFAOYSA-N
Compound name
4-chloro-1,5-dimethylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

145.04068 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04796 127.3
[M+Na]+ 168.02990 139.0
[M-H]- 144.03340 128.7
[M+NH4]+ 163.07450 149.0
[M+K]+ 184.00384 135.7
[M+H-H2O]+ 128.03794 121.6
[M+HCOO]- 190.03888 146.9
[M+CH3COO]- 204.05453 176.1
[M+Na-2H]- 166.01535 131.7
[M]+ 145.04013 128.4
[M]- 145.04123 128.4
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