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]+ 186.112476 137.9
[M+Na]+ 208.094418 144.9
[M-H]- 184.097924 141.8
[M+NH4]+ 203.139023 158.9
[M+K]+ 224.068358 145.4
[M+H-H2O]+ 168.102460 133.2
[M+HCOO]- 230.103401 153.5
[M+CH3COO]- 244.119051 175.1
[M+Na-2H]- 206.079866 144.6
[M]+ 185.10465142 134.2
[M]- 185.10574858 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.