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]+ 158.117556 134.6
[M+Na]+ 180.099498 139.3
[M-H]- 156.103004 135.9
[M+NH4]+ 175.144103 155.1
[M+K]+ 196.073438 138.1
[M+H-H2O]+ 140.107540 129.0
[M+HCOO]- 202.108481 149.6
[M+CH3COO]- 216.124131 146.0
[M+Na-2H]- 178.084946 139.7
[M]+ 157.10973142 126.4
[M]- 157.11082858 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.