CID 137965603

2230803-89-9

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CC(C)(C)OC(=O)NC1CCS(=N)(=O)CC1
InChI
InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-8-4-6-16(11,14)7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey
PTNMOQLQSHZUNJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-imino-1-oxothian-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11946 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.126736 153.7
[M+Na]+ 271.108678 158.3
[M-H]- 247.112184 156.4
[M+NH4]+ 266.153283 172.7
[M+K]+ 287.082618 156.7
[M+H-H2O]+ 231.116720 148.8
[M+HCOO]- 293.117661 168.7
[M+CH3COO]- 307.133311 192.7
[M+Na-2H]- 269.094126 157.1
[M]+ 248.11891142 152.0
[M]- 248.12000858 152.0
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.