CID 86160

Spiroxamine

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
InChI
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKey
PUYXTUJWRLOUCW-UHFFFAOYSA-N
Compound name
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

32382
Patents

297.26678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 177.0
[M+Na]+ 320.25600 179.1
[M-H]- 296.25950 183.4
[M+NH4]+ 315.30060 194.2
[M+K]+ 336.22994 180.1
[M+H-H2O]+ 280.26404 171.4
[M+HCOO]- 342.26498 192.0
[M+CH3COO]- 356.28063 209.0
[M+Na-2H]- 318.24145 179.1
[M]+ 297.26623 176.6
[M]- 297.26733 176.6
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.