CID 10730702

210989-11-0

Structural Information

Molecular Formula
C13H19NO3S
SMILES
CC(C)(C)OC(=O)N=S(=O)(C)CC1=CC=CC=C1
InChI
InChI=1S/C13H19NO3S/c1-13(2,3)17-12(15)14-18(4,16)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey
OIDNAHBXZSVKNM-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzyl-methyl-oxo-lambda6-sulfanylidene)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10855 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11583 161.8
[M+Na]+ 292.09777 168.5
[M-H]- 268.10127 166.7
[M+NH4]+ 287.14237 179.2
[M+K]+ 308.07171 166.5
[M+H-H2O]+ 252.10581 155.4
[M+HCOO]- 314.10675 179.4
[M+CH3COO]- 328.12240 197.0
[M+Na-2H]- 290.08322 166.2
[M]+ 269.10800 166.6
[M]- 269.10910 166.6
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

No patent data available for this compound.