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 174.5
[M+Na]+ 314.19646 178.2
[M-H]- 290.19996 174.3
[M+NH4]+ 309.24106 187.4
[M+K]+ 330.17040 168.1
[M+H-H2O]+ 274.20450 169.0
[M+HCOO]- 336.20544 194.1
[M+CH3COO]- 350.22109 196.9
[M+Na-2H]- 312.18191 178.7
[M]+ 291.20669 174.9
[M]- 291.20779 174.9
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.