CID 12954114

1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CNCCC12CNC(=O)O2
InChI
InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKey
LQGLKWIXYWZNGB-UHFFFAOYSA-N
Compound name
1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

919
Patents

156.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.5
[M+Na]+ 179.07909 139.0
[M-H]- 155.08259 133.5
[M+NH4]+ 174.12369 152.5
[M+K]+ 195.05303 137.4
[M+H-H2O]+ 139.08713 127.0
[M+HCOO]- 201.08807 147.7
[M+CH3COO]- 215.10372 144.7
[M+Na-2H]- 177.06454 138.9
[M]+ 156.08932 124.8
[M]- 156.09042 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe