CID 165946035

1-{6-oxa-2,9-diazaspiro[4.5]decan-2-yl}ethan-1-one hydrochloride

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(=O)N1CCC2(C1)CNCCO2
InChI
InChI=1S/C9H16N2O2/c1-8(12)11-4-2-9(7-11)6-10-3-5-13-9/h10H,2-7H2,1H3
InChIKey
PZQXEHXIIONFPU-UHFFFAOYSA-N
Compound name
1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 142.3
[M+Na]+ 207.110408 147.1
[M-H]- 183.113914 143.5
[M+NH4]+ 202.155013 161.0
[M+K]+ 223.084348 146.5
[M+H-H2O]+ 167.118450 135.4
[M+HCOO]- 229.119391 156.4
[M+CH3COO]- 243.135041 174.8
[M+Na-2H]- 205.095856 146.0
[M]+ 184.12064142 135.5
[M]- 184.12173858 135.5
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.