CID 71305893

1373028-01-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1C(=O)O)CC2
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(6-7-13)5-4-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
UILIRDSKQDMMDN-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 162.5
[M+Na]+ 278.13628 169.5
[M-H]- 254.13978 165.9
[M+NH4]+ 273.18088 175.2
[M+K]+ 294.11022 167.9
[M+H-H2O]+ 238.14432 157.5
[M+HCOO]- 300.14526 176.4
[M+CH3COO]- 314.16091 193.5
[M+Na-2H]- 276.12173 165.3
[M]+ 255.14651 163.7
[M]- 255.14761 163.7
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.