CID 80645

4-[(4-methylphenyl)sulphonyl]morpholine

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
InChIKey
NBTTYMBZXDHFCP-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

243
Patents

241.07727 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.084546 150.6
[M+Na]+ 264.066488 157.6
[M-H]- 240.069994 156.4
[M+NH4]+ 259.111093 165.8
[M+K]+ 280.040428 155.8
[M+H-H2O]+ 224.074530 143.6
[M+HCOO]- 286.075471 164.2
[M+CH3COO]- 300.091121 186.6
[M+Na-2H]- 262.051936 155.3
[M]+ 241.07672142 150.5
[M]- 241.07781858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe