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 170.0
[M+Na]+ 314.19646 174.4
[M-H]- 290.19996 173.5
[M+NH4]+ 309.24106 185.2
[M+K]+ 330.17040 165.0
[M+H-H2O]+ 274.20450 165.2
[M+HCOO]- 336.20544 186.4
[M+CH3COO]- 350.22109 196.4
[M+Na-2H]- 312.18191 173.8
[M]+ 291.20669 165.0
[M]- 291.20779 165.0
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.