CID 115012273

8-oxa-1-azaspiro[4.5]decan-3-ol

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1COCCC12CC(CN2)O
InChI
InChI=1S/C8H15NO2/c10-7-5-8(9-6-7)1-3-11-4-2-8/h7,9-10H,1-6H2
InChIKey
VBGNAFFFWRXMFL-UHFFFAOYSA-N
Compound name
8-oxa-1-azaspiro[4.5]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.6
[M+Na]+ 180.09950 139.3
[M-H]- 156.10300 135.9
[M+NH4]+ 175.14410 155.1
[M+K]+ 196.07344 138.1
[M+H-H2O]+ 140.10754 129.0
[M+HCOO]- 202.10848 149.6
[M+CH3COO]- 216.12413 146.0
[M+Na-2H]- 178.08495 139.7
[M]+ 157.10973 126.4
[M]- 157.11083 126.4
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.