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]+ 222.07945 146.1
[M+Na]+ 244.06139 153.5
[M+NH4]+ 239.10599 155.4
[M+K]+ 260.03533 144.6
[M-H]- 220.06489 146.0
[M+Na-2H]- 242.04684 151.7
[M]+ 221.07162 147.5
[M]- 221.07272 147.5
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.