CID 12948660

Tert-butyl n-methyl-n-[(4-methylbenzenesulfonyl)oxy]carbamate

Structural Information

Molecular Formula
C13H19NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)ON(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H19NO5S/c1-10-6-8-11(9-7-10)20(16,17)19-14(5)12(15)18-13(2,3)4/h6-9H,1-5H3
InChIKey
ZQCMKORYYUNZPB-UHFFFAOYSA-N
Compound name
[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.105676 166.1
[M+Na]+ 324.087618 172.7
[M-H]- 300.091124 171.3
[M+NH4]+ 319.132223 182.1
[M+K]+ 340.061558 172.6
[M+H-H2O]+ 284.095660 159.7
[M+HCOO]- 346.096601 183.1
[M+CH3COO]- 360.112251 203.9
[M+Na-2H]- 322.073066 169.6
[M]+ 301.09785142 173.7
[M]- 301.09894858 173.7
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.