CID 47869

66223-13-0

Structural Information

Molecular Formula
C13H19NO5
SMILES
CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1
InChI
InChI=1S/C13H19NO5/c1-9-6-13(11(15)18-9)7-10(19-12(13)16)8-14-2-4-17-5-3-14/h9-10H,2-8H2,1H3
InChIKey
VTNJHYZQZBSWRD-UHFFFAOYSA-N
Compound name
8-methyl-3-(morpholin-4-ylmethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1263 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13358 158.9
[M+Na]+ 292.11552 164.8
[M-H]- 268.11902 167.5
[M+NH4]+ 287.16012 175.4
[M+K]+ 308.08946 166.2
[M+H-H2O]+ 252.12356 154.1
[M+HCOO]- 314.12450 173.5
[M+CH3COO]- 328.14015 193.3
[M+Na-2H]- 290.10097 159.9
[M]+ 269.12575 157.1
[M]- 269.12685 157.1
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.