CID 45121757

908269-56-7

Structural Information

Molecular Formula

C₆H₁₀N₂OS

SMILES

CC(C)(C1=CN=C(S1)N)O

InChI

InChI=1S/C6H10N2OS/c1-6(2,9)4-3-8-5(7)10-4/h3,9H,1-2H3,(H2,7,8)

InChIKey

FLVKNCHWZGPGMX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
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	132.4
[M+Na]+	181.04061	141.4
[M-H]-	157.04411	133.7
[M+NH4]+	176.08521	153.5
[M+K]+	197.01455	138.9
[M+H-H2O]+	141.04865	127.2
[M+HCOO]-	203.04959	149.6
[M+CH3COO]-	217.06524	173.8
[M+Na-2H]-	179.02606	135.3
[M]+	158.05084	132.3
[M]-	158.05194	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe