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 151.0
[M+Na]+ 264.06649 159.0
[M-H]- 240.06999 158.2
[M+NH4]+ 259.11109 170.9
[M+K]+ 280.04043 157.2
[M+H-H2O]+ 224.07453 146.2
[M+HCOO]- 286.07547 168.3
[M+CH3COO]- 300.09112 187.3
[M+Na-2H]- 262.05194 155.5
[M]+ 241.07672 151.5
[M]- 241.07782 151.5
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.