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
4
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 163.4
[M+Na]+ 278.20905 166.6
[M-H]- 254.21255 168.9
[M+NH4]+ 273.25365 181.6
[M+K]+ 294.18299 166.9
[M+H-H2O]+ 238.21709 158.3
[M+HCOO]- 300.21803 178.9
[M+CH3COO]- 314.23368 196.6
[M+Na-2H]- 276.19450 167.8
[M]+ 255.21928 160.7
[M]- 255.22038 160.7
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