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

37
Patents

145.04068 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04796 127.2
[M+Na]+ 168.02990 137.0
[M-H]- 144.03340 127.8
[M+NH4]+ 163.07450 148.2
[M+K]+ 184.00384 133.8
[M+H-H2O]+ 128.03794 120.7
[M+HCOO]- 190.03888 146.8
[M+CH3COO]- 204.05453 173.8
[M+Na-2H]- 166.01535 133.1
[M]+ 145.04013 127.6
[M]- 145.04123 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