CID 139597481

Spiroxamine-acid

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O
InChI
InChI=1S/C18H33NO4/c1-5-11-19(6-2)12-15-13-22-18(23-15)9-7-14(8-10-18)17(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21)
InChIKey
VMUODEDOHPQLOD-UHFFFAOYSA-N
Compound name
2-[3-[[ethyl(propyl)amino]methyl]-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

327.24097 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 180.1
[M+Na]+ 350.23019 185.5
[M+NH4]+ 345.27479 187.1
[M+K]+ 366.20413 182.6
[M-H]- 326.23369 183.0
[M+Na-2H]- 348.21564 181.3
[M]+ 327.24042 181.5
[M]- 327.24152 181.5
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.