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

74
Patents

225.08235 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.089626 150.2
[M+Na]+ 248.071568 157.4
[M-H]- 224.075074 154.2
[M+NH4]+ 243.116173 169.0
[M+K]+ 264.045508 155.1
[M+H-H2O]+ 208.079610 144.3
[M+HCOO]- 270.080551 167.9
[M+CH3COO]- 284.096201 189.4
[M+Na-2H]- 246.057016 153.4
[M]+ 225.08180142 153.4
[M]- 225.08289858 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