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]+ 314.26898 177.4
[M+Na]+ 336.25092 179.2
[M-H]- 312.25442 182.5
[M+NH4]+ 331.29552 193.1
[M+K]+ 352.22486 175.1
[M+H-H2O]+ 296.25896 177.4
[M+HCOO]- 358.25990 191.0
[M+CH3COO]- 372.27555 201.1
[M+Na-2H]- 334.23637 184.5
[M]+ 313.26115 174.3
[M]- 313.26225 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.