CID 5018373

51546-08-8

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CC1=NN(C(=C1)N)CCO

InChI

InChI=1S/C6H11N3O/c1-5-4-6(7)9(8-5)2-3-10/h4,10H,2-3,7H2,1H3

InChIKey

ANQYOZSPKNDFPD-UHFFFAOYSA-N

Compound name

2-(5-amino-3-methylpyrazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 141.09021 Da
Monoisotopic Mass: -0.5
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]+	142.09749	128.6
[M+Na]+	164.07943	137.8
[M-H]-	140.08293	128.4
[M+NH4]+	159.12403	148.6
[M+K]+	180.05337	135.8
[M+H-H2O]+	124.08747	122.0
[M+HCOO]-	186.08841	151.4
[M+CH3COO]-	200.10406	173.6
[M+Na-2H]-	162.06488	133.4
[M]+	141.08966	127.7
[M]-	141.09076	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe