CID 48332

Ro 2-2016

Structural Information

Molecular Formula
C14H24N3O2
SMILES
CC[N+](C)(CC)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C14H24N3O2/c1-6-17(5,7-2)11-12-13(9-8-10-15-12)19-14(18)16(3)4/h8-10H,6-7,11H2,1-5H3/q+1
InChIKey
BPYVDHJGFPGESL-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.18686 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19414 161.7
[M+Na]+ 289.17608 167.2
[M-H]- 265.17958 166.8
[M+NH4]+ 284.22068 178.0
[M+K]+ 305.15002 161.8
[M+H-H2O]+ 249.18412 156.7
[M+HCOO]- 311.18506 185.1
[M+CH3COO]- 325.20071 202.0
[M+Na-2H]- 287.16153 169.3
[M]+ 266.18631 165.1
[M]- 266.18741 165.1
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.