CID 167721423

En300-43354163

Structural Information

Molecular Formula
C12H22ClNO6S
SMILES
CC(C)(C)OC(=O)[C@H](CS(=O)(=O)Cl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22ClNO6S/c1-11(2,3)19-9(15)8(7-21(13,17)18)14-10(16)20-12(4,5)6/h8H,7H2,1-6H3,(H,14,16)/t8-/m0/s1
InChIKey
WZGBYSKUKGDPFL-QMMMGPOBSA-N
Compound name
tert-butyl (2R)-3-chlorosulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08563 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09291 171.9
[M+Na]+ 366.07485 177.1
[M-H]- 342.07835 172.4
[M+NH4]+ 361.11945 186.4
[M+K]+ 382.04879 176.0
[M+H-H2O]+ 326.08289 168.3
[M+HCOO]- 388.08383 179.8
[M+CH3COO]- 402.09948 206.5
[M+Na-2H]- 364.06030 174.1
[M]+ 343.08508 180.5
[M]- 343.08618 180.5
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.