CID 138755898

Tert-butyl 7-hydroxy-4-azaspiro[2.5]octane-4-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC12CC2)O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-4-9(14)8-12(13)5-6-12/h9,14H,4-8H2,1-3H3
InChIKey
VMNNSPNZFMIABL-UHFFFAOYSA-N
Compound name
tert-butyl 7-hydroxy-4-azaspiro[2.5]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

227.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 157.4
[M+Na]+ 250.14137 164.9
[M-H]- 226.14487 160.9
[M+NH4]+ 245.18597 171.3
[M+K]+ 266.11531 163.1
[M+H-H2O]+ 210.14941 152.2
[M+HCOO]- 272.15035 172.1
[M+CH3COO]- 286.16600 188.6
[M+Na-2H]- 248.12682 161.4
[M]+ 227.15160 157.9
[M]- 227.15270 157.9
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