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 138.1
[M+Na]+ 216.03010 144.9
[M-H]- 192.03360 139.8
[M+NH4]+ 211.07470 160.1
[M+K]+ 232.00404 143.4
[M+H-H2O]+ 176.03814 134.2
[M+HCOO]- 238.03908 154.0
[M+CH3COO]- 252.05473 176.9
[M+Na-2H]- 214.01555 138.2
[M]+ 193.04033 136.5
[M]- 193.04143 136.5
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.