CID 89924088

1538626-88-8

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(CC12COC2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-5-8(9(14)15)4-12(13)6-17-7-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
DHBYWVJOFBIKRG-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azaspiro[3.4]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

257.1263 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.133576 155.3
[M+Na]+ 280.115518 159.1
[M-H]- 256.119024 158.5
[M+NH4]+ 275.160123 166.3
[M+K]+ 296.089458 163.0
[M+H-H2O]+ 240.123560 146.2
[M+HCOO]- 302.124501 168.9
[M+CH3COO]- 316.140151 192.3
[M+Na-2H]- 278.100966 157.8
[M]+ 257.12575142 164.2
[M]- 257.12684858 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

patents stripe