CID 3074951

169128-37-4

Structural Information

Molecular Formula
C16H27N3O2
SMILES
CCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C16H27N3O2/c1-5-6-7-8-12-19(4)13-14-15(10-9-11-17-14)21-16(20)18(2)3/h9-11H,5-8,12-13H2,1-4H3
InChIKey
AKKJBDBTLXYZHW-UHFFFAOYSA-N
Compound name
[2-[[hexyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21033 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.21761 172.8
[M+Na]+ 316.19955 182.0
[M+NH4]+ 311.24415 178.8
[M+K]+ 332.17349 176.3
[M-H]- 292.20305 174.7
[M+Na-2H]- 314.18500 177.5
[M]+ 293.20978 174.3
[M]- 293.21088 174.3
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.