CID 55255831

2126163-23-1

Structural Information

Molecular Formula

C₆H₁₀N₂OS

SMILES

C1=C(SC=N1)C(CCO)N

InChI

InChI=1S/C6H10N2OS/c7-5(1-2-9)6-3-8-4-10-6/h3-5,9H,1-2,7H2

InChIKey

CAYOANSEYRZPBB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.05139 Da
Monoisotopic Mass: -0.4
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]+	159.058666	131.7
[M+Na]+	181.040608	139.1
[M-H]-	157.044114	132.5
[M+NH4]+	176.085213	152.3
[M+K]+	197.014548	136.8
[M+H-H2O]+	141.048650	125.6
[M+HCOO]-	203.049591	149.5
[M+CH3COO]-	217.065241	173.2
[M+Na-2H]-	179.026056	133.4
[M]+	158.05084142	131.1
[M]-	158.05193858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.