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]+ 258.133576 160.9
[M+Na]+ 280.115518 168.4
[M-H]- 256.119024 165.2
[M+NH4]+ 275.160123 172.2
[M+K]+ 296.089458 168.4
[M+H-H2O]+ 240.123560 155.7
[M+HCOO]- 302.124501 174.2
[M+CH3COO]- 316.140151 192.9
[M+Na-2H]- 278.100966 165.2
[M]+ 257.12575142 163.9
[M]- 257.12684858 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.