CID 57785181

1822544-80-8

Structural Information

Molecular Formula
C12H21NO6S
SMILES
CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)O
InChI
InChI=1S/C12H21NO6S/c1-12(2,3)19-11(16)13-9(10(14)15)8-4-6-20(17,18)7-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
GDQPKCZYHYRQCH-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.10895 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11623 167.0
[M+Na]+ 330.09817 171.2
[M+NH4]+ 325.14277 172.0
[M+K]+ 346.07211 167.1
[M-H]- 306.10167 163.9
[M+Na-2H]- 328.08362 168.3
[M]+ 307.10840 166.6
[M]- 307.10950 166.6
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

patents stripe