CID 20397248

1803571-44-9

Structural Information

Molecular Formula
C5H9N3
SMILES
CC(C1=CC=NN1)N
InChI
InChI=1S/C5H9N3/c1-4(6)5-2-3-7-8-5/h2-4H,6H2,1H3,(H,7,8)
InChIKey
IVZCHEJTIUBJPM-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

111.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 121.8
[M+Na]+ 134.068868 129.3
[M-H]- 110.072374 121.1
[M+NH4]+ 129.113473 142.4
[M+K]+ 150.042808 127.7
[M+H-H2O]+ 94.076910 115.0
[M+HCOO]- 156.077851 143.7
[M+CH3COO]- 170.093501 167.1
[M+Na-2H]- 132.054316 127.4
[M]+ 111.07910142 117.7
[M]- 111.08019858 117.7
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