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 168.1
[M+Na]+ 324.08762 176.5
[M+NH4]+ 319.13222 173.3
[M+K]+ 340.06156 172.3
[M-H]- 300.09112 167.2
[M+Na-2H]- 322.07307 171.8
[M]+ 301.09785 169.3
[M]- 301.09895 169.3
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.