CID 3039697

Sulglycapin

Structural Information

Molecular Formula
C9H18N2O4S
SMILES
CNS(=O)(=O)OCC(=O)N1CCCCCC1
InChI
InChI=1S/C9H18N2O4S/c1-10-16(13,14)15-8-9(12)11-6-4-2-3-5-7-11/h10H,2-8H2,1H3
InChIKey
OTSYOPHQYHLKTK-UHFFFAOYSA-N
Compound name
[2-(azepan-1-yl)-2-oxoethyl] N-methylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4103
Patents

250.09872 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10600 151.7
[M+Na]+ 273.08794 153.3
[M-H]- 249.09144 153.8
[M+NH4]+ 268.13254 165.7
[M+K]+ 289.06188 157.4
[M+H-H2O]+ 233.09598 144.4
[M+HCOO]- 295.09692 164.5
[M+CH3COO]- 309.11257 191.3
[M+Na-2H]- 271.07339 153.6
[M]+ 250.09817 148.1
[M]- 250.09927 148.1
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