CID 13842752

53064-43-0

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NS1)C)CO

InChI

InChI=1S/C6H9NOS/c1-4-6(3-8)5(2)9-7-4/h8H,3H2,1-2H3

InChIKey

IDMQGDPNBZRLAM-UHFFFAOYSA-N

Compound name

(3,5-dimethyl-1,2-thiazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 143.04048 Da
Monoisotopic Mass: 0.9
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]+	144.04776	128.6
[M+Na]+	166.02970	140.0
[M+NH4]+	161.07430	137.5
[M+K]+	182.00364	134.2
[M-H]-	142.03320	129.6
[M+Na-2H]-	164.01515	133.1
[M]+	143.03993	130.9
[M]-	143.04103	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe