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 155.7
[M+Na]+ 268.09779 159.5
[M-H]- 244.10129 158.3
[M+NH4]+ 263.14239 173.3
[M+K]+ 284.07173 159.5
[M+H-H2O]+ 228.10583 150.9
[M+HCOO]- 290.10677 167.0
[M+CH3COO]- 304.12242 191.1
[M+Na-2H]- 266.08324 157.6
[M]+ 245.10802 154.5
[M]- 245.10912 154.5
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.