CID 7019315

2-(4-chloro-1h-pyrazol-1-yl)ethanamine

Structural Information

Molecular Formula
C5H8ClN3
SMILES
C1=C(C=NN1CCN)Cl
InChI
InChI=1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2
InChIKey
HYMUJSKLHIXUOM-UHFFFAOYSA-N
Compound name
2-(4-chloropyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

145.04068 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.047956 127.2
[M+Na]+ 168.029898 137.0
[M-H]- 144.033404 127.8
[M+NH4]+ 163.074503 148.2
[M+K]+ 184.003838 133.8
[M+H-H2O]+ 128.037940 120.7
[M+HCOO]- 190.038881 146.8
[M+CH3COO]- 204.054531 173.8
[M+Na-2H]- 166.015346 133.1
[M]+ 145.04013142 127.6
[M]- 145.04122858 127.6
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