CID 19619542

3-(4-chloro-1h-pyrazol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C6H10ClN3
SMILES
C1=C(C=NN1CCCN)Cl
InChI
InChI=1S/C6H10ClN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2
InChIKey
KDYCSGUDPHYMFA-UHFFFAOYSA-N
Compound name
3-(4-chloropyrazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.05632 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.063596 131.8
[M+Na]+ 182.045538 141.1
[M-H]- 158.049044 132.2
[M+NH4]+ 177.090143 152.2
[M+K]+ 198.019478 137.7
[M+H-H2O]+ 142.053580 125.1
[M+HCOO]- 204.054521 151.1
[M+CH3COO]- 218.070171 176.9
[M+Na-2H]- 180.030986 137.2
[M]+ 159.05577142 132.5
[M]- 159.05686858 132.5
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

No patent data available for this compound.