CID 121208995

1862877-05-1

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

C1=COC=C1C2=CN(N=C2)CCN

InChI

InChI=1S/C9H11N3O/c10-2-3-12-6-9(5-11-12)8-1-4-13-7-8/h1,4-7H,2-3,10H2

InChIKey

YGUBTCIYGDMDSC-UHFFFAOYSA-N

Compound name

2-[4-(furan-3-yl)pyrazol-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.09021 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.097486	134.2
[M+Na]+	200.079428	143.8
[M-H]-	176.082934	139.4
[M+NH4]+	195.124033	153.4
[M+K]+	216.053368	142.4
[M+H-H2O]+	160.087470	126.6
[M+HCOO]-	222.088411	160.3
[M+CH3COO]-	236.104061	148.6
[M+Na-2H]-	198.064876	140.2
[M]+	177.08966142	136.3
[M]-	177.09075858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe