CID 94250

3-(1-methylaminobutyl)pyridine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCCC(C1=CN=CC=C1)NC
InChI
InChI=1S/C10H16N2/c1-3-5-10(11-2)9-6-4-7-12-8-9/h4,6-8,10-11H,3,5H2,1-2H3
InChIKey
NFZVCHHDNNTURD-UHFFFAOYSA-N
Compound name
N-methyl-1-pyridin-3-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

164.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.5
[M+Na]+ 187.12057 143.3
[M-H]- 163.12407 139.3
[M+NH4]+ 182.16517 156.5
[M+K]+ 203.09451 141.5
[M+H-H2O]+ 147.12861 130.4
[M+HCOO]- 209.12955 160.5
[M+CH3COO]- 223.14520 182.7
[M+Na-2H]- 185.10602 144.3
[M]+ 164.13080 136.9
[M]- 164.13190 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe