CID 16227260

[5-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S₂

SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CN

InChI

InChI=1S/C9H14N2O3S2/c10-7-8-1-2-9(15-8)16(12,13)11-3-5-14-6-4-11/h1-2H,3-7,10H2

InChIKey

BSEDTVGOTNKFAG-UHFFFAOYSA-N

Compound name

(5-morpholin-4-ylsulfonylthiophen-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 262.0446 Da
Monoisotopic Mass: -0.4
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]+	263.05188	154.9
[M+Na]+	285.03382	162.9
[M+NH4]+	280.07842	162.1
[M+K]+	301.00776	157.3
[M-H]-	261.03732	157.7
[M+Na-2H]-	283.01927	158.0
[M]+	262.04405	157.5
[M]-	262.04515	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe