CID 79849384

2503202-16-0

Structural Information

Molecular Formula
C8H15NO4S
SMILES
COC(=O)CC1(CCCS(=O)(=O)C1)N
InChI
InChI=1S/C8H15NO4S/c1-13-7(10)5-8(9)3-2-4-14(11,12)6-8/h2-6,9H2,1H3
InChIKey
RVOOXXQBPJEMQS-UHFFFAOYSA-N
Compound name
methyl 2-(3-amino-1,1-dioxothian-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 143.3
[M+Na]+ 244.061388 149.8
[M-H]- 220.064894 145.9
[M+NH4]+ 239.105993 165.1
[M+K]+ 260.035328 148.7
[M+H-H2O]+ 204.069430 139.4
[M+HCOO]- 266.070371 159.0
[M+CH3COO]- 280.086021 183.9
[M+Na-2H]- 242.046836 146.9
[M]+ 221.07162142 143.2
[M]- 221.07271858 143.2
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.