CID 11847093

2174008-21-8

Structural Information

Molecular Formula

SMILES

CC1=NC=C(C=C1)S

InChI

InChI=1S/C6H7NS/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3

InChIKey

BOQMVJJSNJJIMA-UHFFFAOYSA-N

Compound name

6-methylpyridine-3-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 125.02992 Da
Monoisotopic Mass: 1.3
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]+	126.037196	119.6
[M+Na]+	148.019138	129.7
[M-H]-	124.022644	122.9
[M+NH4]+	143.063743	141.7
[M+K]+	163.993078	127.6
[M+H-H2O]+	108.027180	114.2
[M+HCOO]-	170.028121	138.7
[M+CH3COO]-	184.043771	170.0
[M+Na-2H]-	146.004586	125.3
[M]+	125.02937142	121.6
[M]-	125.03046858	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe