CID 16206219

102206-87-1

Structural Information

Molecular Formula
C17H27N2O
SMILES
C=CCCCCCCCCC(=O)NC[N+]1=CC=CC=C1
InChI
InChI=1S/C17H26N2O/c1-2-3-4-5-6-7-8-10-13-17(20)18-16-19-14-11-9-12-15-19/h2,9,11-12,14-15H,1,3-8,10,13,16H2/p+1
InChIKey
ZMIKUIPPYMMMLY-UHFFFAOYSA-O
Compound name
N-(pyridin-1-ium-1-ylmethyl)undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.21234 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21962 171.6
[M+Na]+ 298.20156 174.9
[M-H]- 274.20506 172.5
[M+NH4]+ 293.24616 185.6
[M+K]+ 314.17550 165.2
[M+H-H2O]+ 258.20960 165.8
[M+HCOO]- 320.21054 192.5
[M+CH3COO]- 334.22619 196.5
[M+Na-2H]- 296.18701 176.8
[M]+ 275.21179 172.1
[M]- 275.21289 172.1
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.