CID 55283784

2172559-10-1

Structural Information

Molecular Formula

SMILES

CSC1=CC=C(O1)CN

InChI

InChI=1S/C6H9NOS/c1-9-6-3-2-5(4-7)8-6/h2-3H,4,7H2,1H3

InChIKey

ZHFAOELZHQSXGA-UHFFFAOYSA-N

Compound name

(5-methylsulfanylfuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 143.04048 Da
Monoisotopic Mass: 0.7
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]+	144.047756	126.8
[M+Na]+	166.029698	136.0
[M-H]-	142.033204	131.4
[M+NH4]+	161.074303	149.3
[M+K]+	182.003638	135.0
[M+H-H2O]+	126.037740	121.8
[M+HCOO]-	188.038681	147.5
[M+CH3COO]-	202.054331	173.4
[M+Na-2H]-	164.015146	130.4
[M]+	143.03993142	129.1
[M]-	143.04102858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe