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
4
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 172.7
[M+Na]+ 322.19888 174.7
[M-H]- 298.20238 176.5
[M+NH4]+ 317.24348 187.9
[M+K]+ 338.17282 175.0
[M+H-H2O]+ 282.20692 167.7
[M+HCOO]- 344.20786 185.8
[M+CH3COO]- 358.22351 202.3
[M+Na-2H]- 320.18433 175.5
[M]+ 299.20911 170.2
[M]- 299.21021 170.2
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.