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 174.3
[M+Na]+ 316.19955 178.3
[M-H]- 292.20305 178.5
[M+NH4]+ 311.24415 189.2
[M+K]+ 332.17349 178.3
[M+H-H2O]+ 276.20759 165.2
[M+HCOO]- 338.20853 198.0
[M+CH3COO]- 352.22418 215.6
[M+Na-2H]- 314.18500 176.1
[M]+ 293.20978 180.1
[M]- 293.21088 180.1
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.