CID 20352856

3-(1h-pyrazol-3-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
C1=C(NN=C1)CCCN
InChI
InChI=1S/C6H11N3/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4,7H2,(H,8,9)
InChIKey
HZOIHLSZMGDITC-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

125.0953 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.4
[M+Na]+ 148.08452 132.7
[M-H]- 124.08802 124.4
[M+NH4]+ 143.12912 145.4
[M+K]+ 164.05846 130.4
[M+H-H2O]+ 108.09256 118.3
[M+HCOO]- 170.09350 148.0
[M+CH3COO]- 184.10915 169.3
[M+Na-2H]- 146.06997 131.7
[M]+ 125.09475 122.3
[M]- 125.09585 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe