CID 155822827

2567496-92-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CCC2)OCC1C=O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-9-13(5-4-6-13)17-8-10(14)7-15/h7,10H,4-6,8-9H2,1-3H3
InChIKey
BXJQCLHKDODZFF-UHFFFAOYSA-N
Compound name
tert-butyl 7-formyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 154.9
[M+Na]+ 278.136278 158.8
[M-H]- 254.139784 159.0
[M+NH4]+ 273.180883 165.1
[M+K]+ 294.110218 162.6
[M+H-H2O]+ 238.144320 144.4
[M+HCOO]- 300.145261 168.6
[M+CH3COO]- 314.160911 195.1
[M+Na-2H]- 276.121726 159.7
[M]+ 255.14651142 163.3
[M]- 255.14760858 163.3
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.