CID 48668

66967-88-2

Structural Information

Molecular Formula
C15H26N3O2
SMILES
CC[N+](CC)(CC)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C15H26N3O2/c1-6-18(7-2,8-3)12-13-14(10-9-11-16-13)20-15(19)17(4)5/h9-11H,6-8,12H2,1-5H3/q+1
InChIKey
PHYPOCNWIFWFTA-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2025 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20978 166.5
[M+Na]+ 303.19172 171.5
[M-H]- 279.19522 171.4
[M+NH4]+ 298.23632 182.2
[M+K]+ 319.16566 165.9
[M+H-H2O]+ 263.19976 161.2
[M+HCOO]- 325.20070 189.5
[M+CH3COO]- 339.21635 205.0
[M+Na-2H]- 301.17717 173.6
[M]+ 280.20195 170.2
[M]- 280.20305 170.2
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.