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]+ 256.15434 154.9
[M+Na]+ 278.13628 158.8
[M-H]- 254.13978 159.0
[M+NH4]+ 273.18088 165.1
[M+K]+ 294.11022 162.6
[M+H-H2O]+ 238.14432 144.4
[M+HCOO]- 300.14526 168.6
[M+CH3COO]- 314.16091 195.1
[M+Na-2H]- 276.12173 159.7
[M]+ 255.14651 163.3
[M]- 255.14761 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.