CID 121215962

954376-24-0

Structural Information

Molecular Formula
C10H19NO3S
SMILES
CC(=O)SCCN(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3S/c1-8(12)15-7-6-11(5)9(13)14-10(2,3)4/h6-7H2,1-5H3
InChIKey
PSGGKPMQLXHYKM-UHFFFAOYSA-N
Compound name
S-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10857 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11585 154.8
[M+Na]+ 256.09779 160.1
[M-H]- 232.10129 156.3
[M+NH4]+ 251.14239 173.7
[M+K]+ 272.07173 160.6
[M+H-H2O]+ 216.10583 149.1
[M+HCOO]- 278.10677 170.8
[M+CH3COO]- 292.12242 194.7
[M+Na-2H]- 254.08324 154.7
[M]+ 233.10802 160.9
[M]- 233.10912 160.9
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.