CID 54593064

1249370-15-7

Structural Information

Molecular Formula
C11H15NO3S
SMILES
C1COCC1CS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H15NO3S/c12-10-1-3-11(4-2-10)16(13,14)8-9-5-6-15-7-9/h1-4,9H,5-8,12H2
InChIKey
XRWJBYLNQKHWLP-UHFFFAOYSA-N
Compound name
4-(oxolan-3-ylmethylsulfonyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07727 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 151.9
[M+Na]+ 264.06649 159.1
[M-H]- 240.06999 158.9
[M+NH4]+ 259.11109 169.8
[M+K]+ 280.04043 156.9
[M+H-H2O]+ 224.07453 146.2
[M+HCOO]- 286.07547 169.3
[M+CH3COO]- 300.09112 187.7
[M+Na-2H]- 262.05194 154.8
[M]+ 241.07672 152.0
[M]- 241.07782 152.0
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.