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]+ 302.10568 166.1
[M+Na]+ 324.08762 172.7
[M-H]- 300.09112 171.3
[M+NH4]+ 319.13222 182.1
[M+K]+ 340.06156 172.6
[M+H-H2O]+ 284.09566 159.7
[M+HCOO]- 346.09660 183.1
[M+CH3COO]- 360.11225 203.9
[M+Na-2H]- 322.07307 169.6
[M]+ 301.09785 173.7
[M]- 301.09895 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.