CID 118798346

2-[(tert-butoxy)carbonyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=NO2)C(=O)O
InChI
InChI=1S/C11H16N2O5/c1-10(2,3)17-9(16)13-5-11(6-13)4-7(8(14)15)12-18-11/h4-6H2,1-3H3,(H,14,15)
InChIKey
HSBSFXGYYQDTBF-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 154.3
[M+Na]+ 279.09515 159.4
[M-H]- 255.09865 156.8
[M+NH4]+ 274.13975 164.1
[M+K]+ 295.06909 163.5
[M+H-H2O]+ 239.10319 144.2
[M+HCOO]- 301.10413 168.4
[M+CH3COO]- 315.11978 191.8
[M+Na-2H]- 277.08060 157.9
[M]+ 256.10538 164.8
[M]- 256.10648 164.8
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.