CID 9115250

923213-31-4

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
C1COCCN1S(=O)(=O)CC2=CC=CC=C2CN
InChI
InChI=1S/C12H18N2O3S/c13-9-11-3-1-2-4-12(11)10-18(15,16)14-5-7-17-8-6-14/h1-4H,5-10,13H2
InChIKey
AJHVMHVPGHXSRV-UHFFFAOYSA-N
Compound name
[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 159.4
[M+Na]+ 293.09304 164.9
[M-H]- 269.09654 164.2
[M+NH4]+ 288.13764 172.7
[M+K]+ 309.06698 162.3
[M+H-H2O]+ 253.10108 151.7
[M+HCOO]- 315.10202 172.9
[M+CH3COO]- 329.11767 194.0
[M+Na-2H]- 291.07849 163.2
[M]+ 270.10327 157.8
[M]- 270.10437 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.