CID 129950638

7-[(tert-butoxy)carbonyl]-4-oxa-7-azaspiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CC2C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-4-5-17-12(7-13)6-8(12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
USFCWZULCKROMS-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxa-7-azaspiro[2.5]octane-2-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 160.9
[M+Na]+ 280.11552 168.4
[M-H]- 256.11902 165.2
[M+NH4]+ 275.16012 172.2
[M+K]+ 296.08946 168.4
[M+H-H2O]+ 240.12356 155.7
[M+HCOO]- 302.12450 174.2
[M+CH3COO]- 316.14015 192.9
[M+Na-2H]- 278.10097 165.2
[M]+ 257.12575 163.9
[M]- 257.12685 163.9
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.