CID 139594149

Spiroxamine-desethyl-acid

Structural Information

Molecular Formula
C16H29NO4
SMILES
CCCNCC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O
InChI
InChI=1S/C16H29NO4/c1-4-9-17-10-13-11-20-16(21-13)7-5-12(6-8-16)15(2,3)14(18)19/h12-13,17H,4-11H2,1-3H3,(H,18,19)
InChIKey
AGVMWNINOAVGMH-UHFFFAOYSA-N
Compound name
2-methyl-2-[3-(propylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

299.20966 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.21694 172.1
[M+Na]+ 322.19888 177.7
[M+NH4]+ 317.24348 179.2
[M+K]+ 338.17282 174.7
[M-H]- 298.20238 174.7
[M+Na-2H]- 320.18433 173.4
[M]+ 299.20911 173.3
[M]- 299.21021 173.3
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.