CID 137935308

2248384-55-4

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C12COC2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-5-4-8(9(14)15)12(13)6-17-7-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
BEAUIGCHHYVODD-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 155.3
[M+Na]+ 280.11552 159.1
[M-H]- 256.11902 158.5
[M+NH4]+ 275.16012 166.3
[M+K]+ 296.08946 163.0
[M+H-H2O]+ 240.12356 146.2
[M+HCOO]- 302.12450 168.9
[M+CH3COO]- 316.14015 192.3
[M+Na-2H]- 278.10097 157.8
[M]+ 257.12575 164.2
[M]- 257.12685 164.2
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.