CID 58345941

1096711-96-4

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C12H17NO4S/c1-12(2,3)17-11(14)13-9-5-7-10(8-6-9)18(4,15)16/h5-8H,1-4H3,(H,13,14)
InChIKey
YUSSGKRNZSYJPR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methylsulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

271.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.095106 159.8
[M+Na]+ 294.077048 166.9
[M-H]- 270.080554 163.7
[M+NH4]+ 289.121653 176.5
[M+K]+ 310.050988 164.9
[M+H-H2O]+ 254.085090 153.8
[M+HCOO]- 316.086031 176.3
[M+CH3COO]- 330.101681 195.4
[M+Na-2H]- 292.062496 163.9
[M]+ 271.08728142 164.2
[M]- 271.08837858 164.2
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

patents stripe