CID 21955210

7-boc-2-oxa-7-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COC2
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3
InChIKey
YVHPBSHIEPPQDC-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 149.3
[M+Na]+ 250.14137 152.7
[M-H]- 226.14487 153.3
[M+NH4]+ 245.18597 160.6
[M+K]+ 266.11531 156.7
[M+H-H2O]+ 210.14941 138.8
[M+HCOO]- 272.15035 163.0
[M+CH3COO]- 286.16600 189.8
[M+Na-2H]- 248.12682 155.0
[M]+ 227.15160 156.2
[M]- 227.15270 156.2
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