CID 122157000

1453315-60-0

Structural Information

Molecular Formula
C12H19NO6S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CC2C(=O)O
InChI
InChI=1S/C12H19NO6S/c1-11(2,3)19-10(16)13-5-12(6-13)7-20(17,18)4-8(12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
JCHRSFNTOLNLGP-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09332 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10060 164.2
[M+Na]+ 328.08254 168.5
[M-H]- 304.08604 166.7
[M+NH4]+ 323.12714 176.6
[M+K]+ 344.05648 170.7
[M+H-H2O]+ 288.09058 156.3
[M+HCOO]- 350.09152 173.7
[M+CH3COO]- 364.10717 197.4
[M+Na-2H]- 326.06799 165.0
[M]+ 305.09277 175.7
[M]- 305.09387 175.7
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.