CID 3074949

169128-35-2

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CC(C)CCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C15H25N3O2/c1-12(2)8-10-18(5)11-13-14(7-6-9-16-13)20-15(19)17(3)4/h6-7,9,12H,8,10-11H2,1-5H3
InChIKey
MYZMTRPGUGKKJC-UHFFFAOYSA-N
Compound name
[2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.19467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 169.8
[M+Na]+ 302.18389 174.0
[M-H]- 278.18739 174.3
[M+NH4]+ 297.22849 185.2
[M+K]+ 318.15783 174.7
[M+H-H2O]+ 262.19193 161.0
[M+HCOO]- 324.19287 192.8
[M+CH3COO]- 338.20852 213.5
[M+Na-2H]- 300.16934 170.9
[M]+ 279.19412 174.6
[M]- 279.19522 174.6
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.