CID 4962072

852399-79-2

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

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

InChI

InChI=1S/C11H16N2O3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9,12H2

InChIKey

XLDWJOJGHKMPOR-UHFFFAOYSA-N

Compound name

(4-morpholin-4-ylsulfonylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 256.08817 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]+	257.09545	154.9
[M+Na]+	279.07739	165.3
[M+NH4]+	274.12199	162.0
[M+K]+	295.05133	158.9
[M-H]-	255.08089	158.6
[M+Na-2H]-	277.06284	160.4
[M]+	256.08762	157.7
[M]-	256.08872	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe