CID 145746

Ethyl sulfamate

Structural Information

Molecular Formula
C2H7NO3S
SMILES
CCOS(=O)(=O)N
InChI
InChI=1S/C2H7NO3S/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKey
BGGQCYYULFFRLC-UHFFFAOYSA-N
Compound name
ethyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

551
Patents

125.01466 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.021936 120.1
[M+Na]+ 148.003878 128.7
[M-H]- 124.007384 120.6
[M+NH4]+ 143.048483 142.2
[M+K]+ 163.977818 128.2
[M+H-H2O]+ 108.011920 115.6
[M+HCOO]- 170.012861 139.4
[M+CH3COO]- 184.028511 167.6
[M+Na-2H]- 145.989326 125.5
[M]+ 125.01411142 122.3
[M]- 125.01520858 122.3
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