CID 56962184

1363381-67-2

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCC12CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(14)7-9(8-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
JPRDSXJTSHIDCU-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 160.0
[M+Na]+ 278.136278 163.7
[M-H]- 254.139784 162.6
[M+NH4]+ 273.180883 172.5
[M+K]+ 294.110218 165.8
[M+H-H2O]+ 238.144320 150.7
[M+HCOO]- 300.145261 174.0
[M+CH3COO]- 314.160911 193.0
[M+Na-2H]- 276.121726 160.7
[M]+ 255.14651142 167.3
[M]- 255.14760858 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

patents stripe