CID 50989708

1-[2-(morpholin-4-yl)ethyl]-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C9H16N4O
SMILES
C1COCCN1CCN2C=CC(=N2)N
InChI
InChI=1S/C9H16N4O/c10-9-1-2-13(11-9)4-3-12-5-7-14-8-6-12/h1-2H,3-8H2,(H2,10,11)
InChIKey
LUQBLWNZBARCGP-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

196.13242 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.139696 144.1
[M+Na]+ 219.121638 149.8
[M-H]- 195.125144 146.2
[M+NH4]+ 214.166243 158.9
[M+K]+ 235.095578 148.6
[M+H-H2O]+ 179.129680 134.8
[M+HCOO]- 241.130621 162.3
[M+CH3COO]- 255.146271 183.5
[M+Na-2H]- 217.107086 148.4
[M]+ 196.13187142 140.1
[M]- 196.13296858 140.1
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