CID 129317722

1936652-98-0

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-13(8-14)5-4-9(6-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
IBYZHUJHCNYYAZ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.4]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.0
[M+Na]+ 278.13628 163.7
[M-H]- 254.13978 162.6
[M+NH4]+ 273.18088 172.5
[M+K]+ 294.11022 165.8
[M+H-H2O]+ 238.14432 150.7
[M+HCOO]- 300.14526 174.1
[M+CH3COO]- 314.16091 193.0
[M+Na-2H]- 276.12173 160.7
[M]+ 255.14651 167.3
[M]- 255.14761 167.3
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.