CID 122164534

3-(4-methanesulfonylphenyl)oxolan-3-amine

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2(CCOC2)N
InChI
InChI=1S/C11H15NO3S/c1-16(13,14)10-4-2-9(3-5-10)11(12)6-7-15-8-11/h2-5H,6-8,12H2,1H3
InChIKey
DUEGGTQFEUMKBM-UHFFFAOYSA-N
Compound name
3-(4-methylsulfonylphenyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07727 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 151.4
[M+Na]+ 264.06649 161.0
[M+NH4]+ 259.11109 160.6
[M+K]+ 280.04043 154.8
[M-H]- 240.06999 155.1
[M+Na-2H]- 262.05194 158.1
[M]+ 241.07672 154.3
[M]- 241.07782 154.3
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.