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]+ 160.06360 131.8
[M+Na]+ 182.04554 141.1
[M-H]- 158.04904 132.2
[M+NH4]+ 177.09014 152.2
[M+K]+ 198.01948 137.7
[M+H-H2O]+ 142.05358 125.1
[M+HCOO]- 204.05452 151.1
[M+CH3COO]- 218.07017 176.9
[M+Na-2H]- 180.03099 137.2
[M]+ 159.05577 132.5
[M]- 159.05687 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.