CID 4962072

[4-(morpholine-4-sulfonyl)phenyl]methanamine

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: 43
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]+	257.095446	155.1
[M+Na]+	279.077388	161.0
[M-H]-	255.080894	160.0
[M+NH4]+	274.121993	168.9
[M+K]+	295.051328	158.6
[M+H-H2O]+	239.085430	147.5
[M+HCOO]-	301.086371	168.9
[M+CH3COO]-	315.102021	191.0
[M+Na-2H]-	277.062836	159.3
[M]+	256.08762142	153.1
[M]-	256.08871858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe