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]+ 200.128126 145.2
[M+Na]+ 222.110068 149.3
[M-H]- 198.113574 146.2
[M+NH4]+ 217.154673 162.2
[M+K]+ 238.084008 147.7
[M+H-H2O]+ 182.118110 138.8
[M+HCOO]- 244.119051 157.7
[M+CH3COO]- 258.134701 176.1
[M+Na-2H]- 220.095516 150.2
[M]+ 199.12030142 136.8
[M]- 199.12139858 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.