CID 1838020

78441-69-7

Structural Information

Molecular Formula

C₇H₁₂N₂OS

SMILES

CN(C)CC1=NC(=CS1)CO

InChI

InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3

InChIKey

BIEFSXASVIQOOS-UHFFFAOYSA-N

Compound name

[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 172.06703 Da
Monoisotopic Mass: 0.0
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]+	173.07431	136.5
[M+Na]+	195.05625	146.2
[M+NH4]+	190.10085	144.9
[M+K]+	211.03019	140.9
[M-H]-	171.05975	137.9
[M+Na-2H]-	193.04170	141.0
[M]+	172.06648	138.5
[M]-	172.06758	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe