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
4
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]+ 314.268976 177.4
[M+Na]+ 336.250918 179.2
[M-H]- 312.254424 182.5
[M+NH4]+ 331.295523 193.1
[M+K]+ 352.224858 175.1
[M+H-H2O]+ 296.258960 177.4
[M+HCOO]- 358.259901 191.0
[M+CH3COO]- 372.275551 201.1
[M+Na-2H]- 334.236366 184.5
[M]+ 313.26115142 174.3
[M]- 313.26224858 174.3
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.