CID 154828515

2164867-54-1

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)NC1(CCS(=O)(=O)C1)CC(=O)O
InChI
InChI=1S/C11H19NO6S/c1-10(2,3)18-9(15)12-11(6-8(13)14)4-5-19(16,17)7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
NBLQZLJFOSWUPB-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothiolan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10060 161.6
[M+Na]+ 316.08254 167.4
[M-H]- 292.08604 163.3
[M+NH4]+ 311.12714 181.8
[M+K]+ 332.05648 166.7
[M+H-H2O]+ 276.09058 159.1
[M+HCOO]- 338.09152 175.7
[M+CH3COO]- 352.10717 194.0
[M+Na-2H]- 314.06799 164.5
[M]+ 293.09277 165.0
[M]- 293.09387 165.0
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.