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

32607
Patents

297.26678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.274056 177.0
[M+Na]+ 320.255998 179.1
[M-H]- 296.259504 183.4
[M+NH4]+ 315.300603 194.2
[M+K]+ 336.229938 180.1
[M+H-H2O]+ 280.264040 171.4
[M+HCOO]- 342.264981 192.0
[M+CH3COO]- 356.280631 209.0
[M+Na-2H]- 318.241446 179.1
[M]+ 297.26623142 176.6
[M]- 297.26732858 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

literature stripe

Patent stripe

patents stripe