CID 22010122

Isothiazol-4-ylmethanol

Structural Information

Molecular Formula

SMILES

C1=C(C=NS1)CO

InChI

InChI=1S/C4H5NOS/c6-2-4-1-5-7-3-4/h1,3,6H,2H2

InChIKey

OVRPVAZRSIBVJO-UHFFFAOYSA-N

Compound name

1,2-thiazol-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 115.009186 Da
Monoisotopic Mass: 0.1
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]+	116.01646	119.7
[M+Na]+	137.99840	130.8
[M+NH4]+	133.04301	129.0
[M+K]+	153.97234	125.1
[M-H]-	114.00191	120.7
[M+Na-2H]-	135.98385	125.1
[M]+	115.00864	121.9
[M]-	115.00973	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe