CID 99438

73826-21-8

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CCC(=O)NC1=CC=C(C=C1)OS(=O)(=O)N(C)C
InChI
InChI=1S/C11H16N2O4S/c1-4-11(14)12-9-5-7-10(8-6-9)17-18(15,16)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKey
HGHCQSNDQZYDCB-UHFFFAOYSA-N
Compound name
[4-(propanoylamino)phenyl] N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08307 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 158.7
[M+Na]+ 295.07229 164.9
[M-H]- 271.07579 163.7
[M+NH4]+ 290.11689 175.3
[M+K]+ 311.04623 163.9
[M+H-H2O]+ 255.08033 151.6
[M+HCOO]- 317.08127 178.4
[M+CH3COO]- 331.09692 201.8
[M+Na-2H]- 293.05774 162.1
[M]+ 272.08252 163.8
[M]- 272.08362 163.8
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.