CID 1096902

956193-08-1

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

CC1=CC=C(O1)CN2C(=CC=N2)N

InChI

InChI=1S/C9H11N3O/c1-7-2-3-8(13-7)6-12-9(10)4-5-11-12/h2-5H,6,10H2,1H3

InChIKey

RZODKTCDAKNWFY-UHFFFAOYSA-N

Compound name

2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.09021 Da
Monoisotopic Mass: 1.0
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	134.5
[M+Na]+	200.079428	145.2
[M-H]-	176.082934	140.2
[M+NH4]+	195.124033	154.1
[M+K]+	216.053368	143.7
[M+H-H2O]+	160.087470	127.3
[M+HCOO]-	222.088411	160.7
[M+CH3COO]-	236.104061	149.4
[M+Na-2H]-	198.064876	139.8
[M]+	177.08966142	137.1
[M]-	177.09075858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.