CID 102298116

Spiroxamine-n-oxide

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCC[N+](CC)(CC1COC2(O1)CCC(CC2)C(C)(C)C)[O-]
InChI
InChI=1S/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKey
QASCBKIDDFXULU-UHFFFAOYSA-N
Compound name
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

313.2617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 175.5
[M+Na]+ 336.25092 184.0
[M+NH4]+ 331.29552 184.5
[M+K]+ 352.22486 181.4
[M-H]- 312.25442 180.8
[M+Na-2H]- 334.23637 178.6
[M]+ 313.26115 178.3
[M]- 313.26225 178.3
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.