CID 139595590

Spiroxamine-hydroxy

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)CO
InChI
InChI=1S/C18H35NO3/c1-5-11-19(6-2)12-16-13-21-18(22-16)9-7-15(8-10-18)17(3,4)14-20/h15-16,20H,5-14H2,1-4H3
InChIKey
JLEFKVLKRJJUGQ-UHFFFAOYSA-N
Compound name
2-[3-[[ethyl(propyl)amino]methyl]-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

313.2617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 180.0
[M+Na]+ 336.25092 181.5
[M-H]- 312.25442 184.9
[M+NH4]+ 331.29552 195.6
[M+K]+ 352.22486 182.1
[M+H-H2O]+ 296.25896 174.5
[M+HCOO]- 358.25990 193.6
[M+CH3COO]- 372.27555 209.3
[M+Na-2H]- 334.23637 181.9
[M]+ 313.26115 179.3
[M]- 313.26225 179.3
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.