CID 68334715

2731009-15-5

Structural Information

Molecular Formula

C₈H₁₀INOS

SMILES

C1COC(C2=C1SC(=C2)I)CN

InChI

InChI=1S/C8H10INOS/c9-8-3-5-6(4-10)11-2-1-7(5)12-8/h3,6H,1-2,4,10H2

InChIKey

IKIPFLHWOFSBPH-UHFFFAOYSA-N

Compound name

(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 294.9528 Da
Monoisotopic Mass: 1.1
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]+	295.96008	146.7
[M+Na]+	317.94202	148.0
[M-H]-	293.94552	144.4
[M+NH4]+	312.98662	163.3
[M+K]+	333.91596	151.9
[M+H-H2O]+	277.95006	138.3
[M+HCOO]-	339.95100	158.9
[M+CH3COO]-	353.96665	155.6
[M+Na-2H]-	315.92747	137.7
[M]+	294.95225	143.9
[M]-	294.95335	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe