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]+ 242.084546 151.0
[M+Na]+ 264.066488 159.0
[M-H]- 240.069994 158.2
[M+NH4]+ 259.111093 170.9
[M+K]+ 280.040428 157.2
[M+H-H2O]+ 224.074530 146.2
[M+HCOO]- 286.075471 168.3
[M+CH3COO]- 300.091121 187.3
[M+Na-2H]- 262.051936 155.5
[M]+ 241.07672142 151.5
[M]- 241.07781858 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.