CID 16228567

956751-81-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CC1=C(C=CO1)C2=NN(C(=C2)N)CCO

InChI

InChI=1S/C10H13N3O2/c1-7-8(2-5-15-7)9-6-10(11)13(12-9)3-4-14/h2,5-6,14H,3-4,11H2,1H3

InChIKey

SBLMWLKNPUCOPV-UHFFFAOYSA-N

Compound name

2-[5-amino-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 0.3
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]+	208.108046	142.8
[M+Na]+	230.089988	153.3
[M-H]-	206.093494	147.4
[M+NH4]+	225.134593	160.7
[M+K]+	246.063928	151.2
[M+H-H2O]+	190.098030	135.8
[M+HCOO]-	252.098971	167.3
[M+CH3COO]-	266.114621	184.6
[M+Na-2H]-	228.075436	146.4
[M]+	207.10022142	145.6
[M]-	207.10131858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.