CID 3074955

169128-41-0

Structural Information

Molecular Formula
C18H31N3O2
SMILES
CCCCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C18H31N3O2/c1-5-6-7-8-9-10-14-21(4)15-16-17(12-11-13-19-16)23-18(22)20(2)3/h11-13H,5-10,14-15H2,1-4H3
InChIKey
OYMWIVRXNSYFLR-UHFFFAOYSA-N
Compound name
[2-[[methyl(octyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.24164 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.24892 183.5
[M+Na]+ 344.23086 186.6
[M-H]- 320.23436 187.3
[M+NH4]+ 339.27546 197.3
[M+K]+ 360.20480 186.1
[M+H-H2O]+ 304.23890 174.0
[M+HCOO]- 366.23984 206.5
[M+CH3COO]- 380.25549 221.5
[M+Na-2H]- 342.21631 184.2
[M]+ 321.24109 190.0
[M]- 321.24219 190.0
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.