CID 200561

2255-00-7

Structural Information

Molecular Formula
C17H29N2O
SMILES
CCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C17H28N2O/c1-2-3-4-5-6-7-8-9-10-13-19-14-11-12-16(15-19)17(18)20/h11-12,14-15H,2-10,13H2,1H3,(H-,18,20)/p+1
InChIKey
KEFQQOIUKVDQCI-UHFFFAOYSA-O
Compound name
1-undecylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.228 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.23528 172.7
[M+Na]+ 300.21722 176.7
[M-H]- 276.22072 173.4
[M+NH4]+ 295.26182 186.8
[M+K]+ 316.19116 167.2
[M+H-H2O]+ 260.22526 167.2
[M+HCOO]- 322.22620 192.8
[M+CH3COO]- 336.24185 198.5
[M+Na-2H]- 298.20267 176.3
[M]+ 277.22745 173.5
[M]- 277.22855 173.5
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

patents stripe