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 149.1
[M+Na]+ 252.06649 156.0
[M-H]- 228.06999 152.0
[M+NH4]+ 247.11109 166.9
[M+K]+ 268.04043 152.8
[M+H-H2O]+ 212.07453 142.7
[M+HCOO]- 274.07547 167.9
[M+CH3COO]- 288.09112 187.1
[M+Na-2H]- 250.05194 153.6
[M]+ 229.07672 152.0
[M]- 229.07782 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

patents stripe