CID 424013

102584-04-3

Structural Information

Molecular Formula
C17H27N2O2
SMILES
C=CCCCCCCCCC(=O)NC[N+]1=CC=CC(=C1)O
InChI
InChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-9-12-17(21)18-15-19-13-10-11-16(20)14-19/h2,10-11,13-14H,1,3-9,12,15H2,(H-,18,20,21)/p+1
InChIKey
SYMLKQKMAMDPEC-UHFFFAOYSA-O
Compound name
N-[(3-hydroxypyridin-1-ium-1-yl)methyl]undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.20724 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21452 171.9
[M+Na]+ 314.19646 183.5
[M+NH4]+ 309.24106 178.5
[M+K]+ 330.17040 176.9
[M-H]- 290.19996 174.0
[M+Na-2H]- 312.18191 176.5
[M]+ 291.20669 174.2
[M]- 291.20779 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.