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

31
Patents

263.08273 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09001 153.8
[M+Na]+ 286.07195 160.1
[M-H]- 262.07545 157.0
[M+NH4]+ 281.11655 172.6
[M+K]+ 302.04589 159.1
[M+H-H2O]+ 246.07999 149.5
[M+HCOO]- 308.08093 168.5
[M+CH3COO]- 322.09658 192.3
[M+Na-2H]- 284.05740 156.9
[M]+ 263.08218 155.6
[M]- 263.08328 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