CID 82412796

1-oxa-9-azaspiro[5.5]undecan-4-one hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1COC2(CCNCC2)CC1=O
InChI
InChI=1S/C9H15NO2/c11-8-1-6-12-9(7-8)2-4-10-5-3-9/h10H,1-7H2
InChIKey
WCHPMAPLPYLRCY-UHFFFAOYSA-N
Compound name
1-oxa-9-azaspiro[5.5]undecan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.11028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 137.4
[M+Na]+ 192.09950 141.4
[M-H]- 168.10300 139.7
[M+NH4]+ 187.14410 156.1
[M+K]+ 208.07344 140.5
[M+H-H2O]+ 152.10754 130.7
[M+HCOO]- 214.10848 151.6
[M+CH3COO]- 228.12413 172.3
[M+Na-2H]- 190.08495 144.0
[M]+ 169.10973 128.6
[M]- 169.11083 128.6
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

patents stripe