CID 122163310

Tert-butyl 4-carbamothioyloxane-4-carboxylate

Structural Information

Molecular Formula
C11H19NO3S
SMILES
CC(C)(C)OC(=O)C1(CCOCC1)C(=S)N
InChI
InChI=1S/C11H19NO3S/c1-10(2,3)15-9(13)11(8(12)16)4-6-14-7-5-11/h4-7H2,1-3H3,(H2,12,16)
InChIKey
KUIZSMPBFGATOX-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbamothioyloxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10857 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11585 156.7
[M+Na]+ 268.09779 163.3
[M+NH4]+ 263.14239 164.6
[M+K]+ 284.07173 157.0
[M-H]- 244.10129 157.7
[M+Na-2H]- 266.08324 159.8
[M]+ 245.10802 158.3
[M]- 245.10912 158.3
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.