CID 2119463

14085-42-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)N)CCO

InChI

InChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2

InChIKey

VWHSJZHUWWEFAC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 73
Patents: 203.10587 Da
Monoisotopic Mass: 0.8
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]+	204.11315	144.8
[M+Na]+	226.09509	157.0
[M+NH4]+	221.13969	152.3
[M+K]+	242.06903	152.7
[M-H]-	202.09859	147.5
[M+Na-2H]-	224.08054	152.2
[M]+	203.10532	147.1
[M]-	203.10642	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe