CID 122152533

5-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C10H17NO3
SMILES
C1COCCC12CNC(=O)CC2CO
InChI
InChI=1S/C10H17NO3/c12-6-8-5-9(13)11-7-10(8)1-3-14-4-2-10/h8,12H,1-7H2,(H,11,13)
InChIKey
WBGWDHOMJHNFKE-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.2
[M+Na]+ 222.11007 149.3
[M-H]- 198.11357 146.2
[M+NH4]+ 217.15467 162.2
[M+K]+ 238.08401 147.7
[M+H-H2O]+ 182.11811 138.8
[M+HCOO]- 244.11905 157.7
[M+CH3COO]- 258.13470 176.1
[M+Na-2H]- 220.09552 150.2
[M]+ 199.12030 136.8
[M]- 199.12140 136.8
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.