CID 102298117

Piroxamine tp2

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCNCC1COC2(O1)CCC(CC2)C(C)(C)C
InChI
InChI=1S/C15H29NO2/c1-5-16-10-13-11-17-15(18-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKey
AUYSPPNVFQBFHX-UHFFFAOYSA-N
Compound name
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

255.21983 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.22711 163.1
[M+Na]+ 278.20905 170.8
[M+NH4]+ 273.25365 172.4
[M+K]+ 294.18299 165.9
[M-H]- 254.21255 167.8
[M+Na-2H]- 276.19450 166.5
[M]+ 255.21928 165.5
[M]- 255.22038 165.5
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