CID 154814358

8,8-dimethyl-7,9-dioxa-2-azaspiro[4.5]decan-3-one

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC1(OCC2(CC(=O)NC2)CO1)C
InChI
InChI=1S/C9H15NO3/c1-8(2)12-5-9(6-13-8)3-7(11)10-4-9/h3-6H2,1-2H3,(H,10,11)
InChIKey
QFNUIVWDIVPKTD-UHFFFAOYSA-N
Compound name
8,8-dimethyl-7,9-dioxa-2-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 137.9
[M+Na]+ 208.09442 144.9
[M-H]- 184.09792 141.8
[M+NH4]+ 203.13902 158.9
[M+K]+ 224.06836 145.4
[M+H-H2O]+ 168.10246 133.2
[M+HCOO]- 230.10340 153.5
[M+CH3COO]- 244.11905 175.1
[M+Na-2H]- 206.07987 144.6
[M]+ 185.10465 134.2
[M]- 185.10575 134.2
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.