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

7
Patents

145.04068 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.047956 127.3
[M+Na]+ 168.029898 139.0
[M-H]- 144.033404 128.7
[M+NH4]+ 163.074503 149.0
[M+K]+ 184.003838 135.7
[M+H-H2O]+ 128.037940 121.6
[M+HCOO]- 190.038881 146.9
[M+CH3COO]- 204.054531 176.1
[M+Na-2H]- 166.015346 131.7
[M]+ 145.04013142 128.4
[M]- 145.04122858 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