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]+ 186.112476 135.5
[M+Na]+ 208.094418 137.9
[M-H]- 184.097924 139.4
[M+NH4]+ 203.139023 150.8
[M+K]+ 224.068358 141.7
[M+H-H2O]+ 168.102460 128.7
[M+HCOO]- 230.103401 148.5
[M+CH3COO]- 244.119051 146.0
[M+Na-2H]- 206.079866 142.5
[M]+ 185.10465142 125.9
[M]- 185.10574858 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.