CID 59412418

Tert-butyl n-(4-sulfanylphenyl)carbamate

Structural Information

Molecular Formula
C11H15NO2S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)S
InChI
InChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-4-6-9(15)7-5-8/h4-7,15H,1-3H3,(H,12,13)
InChIKey
YYZNFLXZNSOQHP-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-sulfanylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

225.08235 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 150.2
[M+Na]+ 248.07157 157.4
[M-H]- 224.07507 154.2
[M+NH4]+ 243.11617 169.0
[M+K]+ 264.04551 155.1
[M+H-H2O]+ 208.07961 144.3
[M+HCOO]- 270.08055 167.9
[M+CH3COO]- 284.09620 189.4
[M+Na-2H]- 246.05702 153.4
[M]+ 225.08180 153.4
[M]- 225.08290 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe