CID 3074946

169128-31-8

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C14H23N3O2/c1-5-6-10-17(4)11-12-13(8-7-9-15-12)19-14(18)16(2)3/h7-9H,5-6,10-11H2,1-4H3
InChIKey
LNKJSTYGXVZHIF-UHFFFAOYSA-N
Compound name
[2-[[butyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.18630 165.1
[M+Na]+ 288.16824 169.9
[M-H]- 264.17174 169.6
[M+NH4]+ 283.21284 181.1
[M+K]+ 304.14218 170.3
[M+H-H2O]+ 248.17628 156.3
[M+HCOO]- 310.17722 189.4
[M+CH3COO]- 324.19287 209.6
[M+Na-2H]- 286.15369 167.9
[M]+ 265.17847 170.1
[M]- 265.17957 170.1
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.