CID 64198259

3-(benzyloxy)propane-1-sulfonamide

Structural Information

Molecular Formula
C10H15NO3S
SMILES
C1=CC=C(C=C1)COCCCS(=O)(=O)N
InChI
InChI=1S/C10H15NO3S/c11-15(12,13)8-4-7-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,11,12,13)
InChIKey
CEDLTMJLYPFHDB-UHFFFAOYSA-N
Compound name
3-phenylmethoxypropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.07727 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08455 149.8
[M+Na]+ 252.06649 159.6
[M+NH4]+ 247.11109 156.9
[M+K]+ 268.04043 152.5
[M-H]- 228.06999 150.6
[M+Na-2H]- 250.05194 154.9
[M]+ 229.07672 151.7
[M]- 229.07782 151.7
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

patents stripe