CID 61057131

1218504-97-2

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1CS(=O)(=O)CC1C(C(=O)O)N
InChI
InChI=1S/C6H11NO4S/c7-5(6(8)9)4-1-2-12(10,11)3-4/h4-5H,1-3,7H2,(H,8,9)
InChIKey
PNUCQEVTIYHOEJ-UHFFFAOYSA-N
Compound name
2-amino-2-(1,1-dioxothiolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 140.1
[M+Na]+ 216.03010 145.7
[M+NH4]+ 211.07470 147.4
[M+K]+ 232.00404 141.9
[M-H]- 192.03360 138.4
[M+Na-2H]- 214.01555 142.2
[M]+ 193.04033 140.3
[M]- 193.04143 140.3
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.