CID 3060809

78289-20-0

Structural Information

Molecular Formula
C17H27N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCC[N+]2(C)CCO
InChI
InChI=1S/C17H26N2O2/c1-13-7-6-8-14(2)16(13)18-17(21)15-9-4-5-10-19(15,3)11-12-20/h6-8,15,20H,4-5,9-12H2,1-3H3/p+1
InChIKey
WMEJQYFQYSWULX-UHFFFAOYSA-O
Compound name
N-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

291.20724 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21452 169.6
[M+Na]+ 314.19646 182.4
[M+NH4]+ 309.24106 179.3
[M+K]+ 330.17040 174.5
[M-H]- 290.19996 174.6
[M+Na-2H]- 312.18191 177.3
[M]+ 291.20669 173.2
[M]- 291.20779 173.2
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.