CID 9990000

Benzylsulfamate

Structural Information

Molecular Formula
C7H9NO3S
SMILES
C1=CC=C(C=C1)COS(=O)(=O)N
InChI
InChI=1S/C7H9NO3S/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChIKey
LHKKUYDIFGSCGS-UHFFFAOYSA-N
Compound name
benzyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

187.03032 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 136.8
[M+Na]+ 210.01954 147.2
[M+NH4]+ 205.06414 144.5
[M+K]+ 225.99348 140.8
[M-H]- 186.02304 137.8
[M+Na-2H]- 208.00499 142.6
[M]+ 187.02977 138.9
[M]- 187.03087 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe