CID 86767403

1803598-19-7

Structural Information

Molecular Formula

SMILES

CC1=CC(=NS1)CO

InChI

InChI=1S/C5H7NOS/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3

InChIKey

NVTAXTNNSSZOFU-UHFFFAOYSA-N

Compound name

(5-methyl-1,2-thiazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 129.02484 Da
Monoisotopic Mass: 0.5
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]+	130.03212	122.5
[M+Na]+	152.01406	132.6
[M-H]-	128.01756	124.4
[M+NH4]+	147.05866	145.4
[M+K]+	167.98800	130.6
[M+H-H2O]+	112.02210	117.5
[M+HCOO]-	174.02304	141.3
[M+CH3COO]-	188.03869	166.4
[M+Na-2H]-	149.99951	125.6
[M]+	129.02429	124.4
[M]-	129.02539	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe