CID 99435

73927-03-4

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CN(C)S(=O)(=O)OC1=CC=CC=C1N
InChI
InChI=1S/C8H12N2O3S/c1-10(2)14(11,12)13-8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
InChIKey
YOFUDCNRYWXWSA-UHFFFAOYSA-N
Compound name
(2-aminophenyl) N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.05687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 144.8
[M+Na]+ 239.04609 154.2
[M+NH4]+ 234.09069 151.9
[M+K]+ 255.02003 148.7
[M-H]- 215.04959 146.3
[M+Na-2H]- 237.03154 150.1
[M]+ 216.05632 146.8
[M]- 216.05742 146.8
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

patents stripe