CID 165683432

2567504-10-1

Structural Information

Molecular Formula
C8H17N3O4S
SMILES
CCOC(=O)NS(=O)(=O)N1CCC(C1)(C)N
InChI
InChI=1S/C8H17N3O4S/c1-3-15-7(12)10-16(13,14)11-5-4-8(2,9)6-11/h3-6,9H2,1-2H3,(H,10,12)
InChIKey
QVICZUZROUSWPV-UHFFFAOYSA-N
Compound name
ethyl N-(3-amino-3-methylpyrrolidin-1-yl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09398 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10126 152.8
[M+Na]+ 274.08320 159.0
[M-H]- 250.08670 154.3
[M+NH4]+ 269.12780 171.7
[M+K]+ 290.05714 157.9
[M+H-H2O]+ 234.09124 147.7
[M+HCOO]- 296.09218 169.0
[M+CH3COO]- 310.10783 191.2
[M+Na-2H]- 272.06865 155.4
[M]+ 251.09343 153.5
[M]- 251.09453 153.5
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.