CID 47867

3-((diethylamino)methyl)-8-methyl-2,7-dioxaspiro(4.4)nonane-1,6-dione

Structural Information

Molecular Formula
C13H21NO4
SMILES
CCN(CC)CC1CC2(CC(OC2=O)C)C(=O)O1
InChI
InChI=1S/C13H21NO4/c1-4-14(5-2)8-10-7-13(12(16)18-10)6-9(3)17-11(13)15/h9-10H,4-8H2,1-3H3
InChIKey
UCYACJBXOQVGNL-UHFFFAOYSA-N
Compound name
3-(diethylaminomethyl)-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 157.4
[M+Na]+ 278.13628 164.1
[M-H]- 254.13978 165.5
[M+NH4]+ 273.18088 178.2
[M+K]+ 294.11022 165.4
[M+H-H2O]+ 238.14432 153.6
[M+HCOO]- 300.14526 178.4
[M+CH3COO]- 314.16091 199.2
[M+Na-2H]- 276.12173 159.2
[M]+ 255.14651 160.2
[M]- 255.14761 160.2
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.