CID 16218340

932710-66-2

Structural Information

Molecular Formula
C15H23NO4S
SMILES
CC(C)CN(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H23NO4S/c1-12(2)11-16(14(17)20-15(3,4)5)21(18,19)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey
ILVKRAHSTKXYMF-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzenesulfonyl)-N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13477 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14205 172.0
[M+Na]+ 336.12399 176.9
[M-H]- 312.12749 176.6
[M+NH4]+ 331.16859 187.3
[M+K]+ 352.09793 176.2
[M+H-H2O]+ 296.13203 165.4
[M+HCOO]- 358.13297 187.2
[M+CH3COO]- 372.14862 207.4
[M+Na-2H]- 334.10944 173.9
[M]+ 313.13422 177.9
[M]- 313.13532 177.9
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.