CID 146155895

2416234-34-7

Structural Information

Molecular Formula
C9H20N2O4S
SMILES
CC(C)(C)OC(=O)NCCS(=N)(=O)CCO
InChI
InChI=1S/C9H20N2O4S/c1-9(2,3)15-8(13)11-4-6-16(10,14)7-5-12/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKey
YZOBTFZBZFVEKQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-hydroxyethylsulfonimidoyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11438 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12166 157.2
[M+Na]+ 275.10360 161.7
[M-H]- 251.10710 155.6
[M+NH4]+ 270.14820 173.3
[M+K]+ 291.07754 159.8
[M+H-H2O]+ 235.11164 151.6
[M+HCOO]- 297.11258 172.2
[M+CH3COO]- 311.12823 192.4
[M+Na-2H]- 273.08905 160.4
[M]+ 252.11383 159.5
[M]- 252.11493 159.5
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.