CID 10893393

Tert-butyl n-[1,3-bis(methanesulfonyloxy)propan-2-yl]carbamate

Structural Information

Molecular Formula
C10H21NO8S2
SMILES
CC(C)(C)OC(=O)NC(COS(=O)(=O)C)COS(=O)(=O)C
InChI
InChI=1S/C10H21NO8S2/c1-10(2,3)19-9(12)11-8(6-17-20(4,13)14)7-18-21(5,15)16/h8H,6-7H2,1-5H3,(H,11,12)
InChIKey
OQZLCYFJSRPMBB-UHFFFAOYSA-N
Compound name
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxypropyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

347.07086 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07814 174.5
[M+Na]+ 370.06008 178.3
[M-H]- 346.06358 173.4
[M+NH4]+ 365.10468 186.9
[M+K]+ 386.03402 177.3
[M+H-H2O]+ 330.06812 168.4
[M+HCOO]- 392.06906 182.7
[M+CH3COO]- 406.08471 205.3
[M+Na-2H]- 368.04553 177.9
[M]+ 347.07031 183.3
[M]- 347.07141 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe