CID 17957449

2-amino-3-(1,3-thiazol-5-yl)propan-1-ol dihydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂OS

SMILES

C1=C(SC=N1)CC(CO)N

InChI

InChI=1S/C6H10N2OS/c7-5(3-9)1-6-2-8-4-10-6/h2,4-5,9H,1,3,7H2

InChIKey

FRIMRCTZPRCLMW-UHFFFAOYSA-N

Compound name

2-amino-3-(1,3-thiazol-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 158.05139 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]+	159.05867	131.8
[M+Na]+	181.04061	140.5
[M+NH4]+	176.08521	139.9
[M+K]+	197.01455	135.9
[M-H]-	157.04411	132.5
[M+Na-2H]-	179.02606	135.8
[M]+	158.05084	133.3
[M]-	158.05194	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe