CID 132354144

1,4-dioxa-9-azaspiro[5.6]dodecan-10-one

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CC2(CCNC1=O)COCCO2
InChI
InChI=1S/C9H15NO3/c11-8-1-2-9(3-4-10-8)7-12-5-6-13-9/h1-7H2,(H,10,11)
InChIKey
NHPOMTWCGNHIIQ-UHFFFAOYSA-N
Compound name
1,4-dioxa-10-azaspiro[5.6]dodecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 135.5
[M+Na]+ 208.09442 137.9
[M-H]- 184.09792 139.4
[M+NH4]+ 203.13902 150.8
[M+K]+ 224.06836 141.7
[M+H-H2O]+ 168.10246 128.7
[M+HCOO]- 230.10340 148.5
[M+CH3COO]- 244.11905 146.0
[M+Na-2H]- 206.07987 142.5
[M]+ 185.10465 125.9
[M]- 185.10575 125.9
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

No patent data available for this compound.