CID 22934846

183606-83-9

Structural Information

Molecular Formula
C10H17NO5S
SMILES
CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1=O
InChI
InChI=1S/C10H17NO5S/c1-10(2,3)16-9(13)11-7-4-5-17(14,15)6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKey
RJQRXKCRDWVGBQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1,3-trioxothian-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

263.08273 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.090006 153.8
[M+Na]+ 286.071948 160.1
[M-H]- 262.075454 157.0
[M+NH4]+ 281.116553 172.6
[M+K]+ 302.045888 159.1
[M+H-H2O]+ 246.079990 149.5
[M+HCOO]- 308.080931 168.5
[M+CH3COO]- 322.096581 192.3
[M+Na-2H]- 284.057396 156.9
[M]+ 263.08218142 155.6
[M]- 263.08327858 155.6
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