CID 15105312

3-amino-1-phenylbutan-2-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(C(CC1=CC=CC=C1)O)N

InChI

InChI=1S/C10H15NO/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3

InChIKey

IQLWJEQETTYONH-UHFFFAOYSA-N

Compound name

3-amino-1-phenylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.11537 Da
Monoisotopic Mass: 1.1
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]+	166.12265	138.0
[M+Na]+	188.10459	143.1
[M-H]-	164.10809	139.5
[M+NH4]+	183.14919	157.1
[M+K]+	204.07853	141.1
[M+H-H2O]+	148.11263	132.1
[M+HCOO]-	210.11357	159.3
[M+CH3COO]-	224.12922	179.6
[M+Na-2H]-	186.09004	141.8
[M]+	165.11482	134.7
[M]-	165.11592	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe