CID 14990451

Piroxamine tp1

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCCNCC1COC2(O1)CCC(CC2)C(C)(C)C
InChI
InChI=1S/C16H31NO2/c1-5-10-17-11-14-12-18-16(19-14)8-6-13(7-9-16)15(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKey
YYICKHZBDGQJBW-UHFFFAOYSA-N
Compound name
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

269.23547 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.24275 167.9
[M+Na]+ 292.22469 170.8
[M-H]- 268.22819 173.2
[M+NH4]+ 287.26929 185.6
[M+K]+ 308.19863 170.8
[M+H-H2O]+ 252.23273 162.7
[M+HCOO]- 314.23367 183.1
[M+CH3COO]- 328.24932 199.6
[M+Na-2H]- 290.21014 171.8
[M]+ 269.23492 165.6
[M]- 269.23602 165.6
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