CID 163335697

Tert-butyl n-(1-oxo-1lambda6-thiomorpholin-1-ylidene)carbamate

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CC(C)(C)OC(=O)N=S1(=O)CCNCC1
InChI
InChI=1S/C9H18N2O3S/c1-9(2,3)14-8(12)11-15(13)6-4-10-5-7-15/h10H,4-7H2,1-3H3
InChIKey
VLRCXNRCHGJCFV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-oxo-1,4-thiazinan-1-ylidene)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 151.4
[M+Na]+ 257.09304 156.6
[M-H]- 233.09654 152.8
[M+NH4]+ 252.13764 169.8
[M+K]+ 273.06698 155.2
[M+H-H2O]+ 217.10108 145.9
[M+HCOO]- 279.10202 164.6
[M+CH3COO]- 293.11767 185.4
[M+Na-2H]- 255.07849 155.3
[M]+ 234.10327 150.1
[M]- 234.10437 150.1
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.