CID 4716480

Ethyl[(pyridin-3-yl)methyl]amine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCNCC1=CN=CC=C1

InChI

InChI=1S/C8H12N2/c1-2-9-6-8-4-3-5-10-7-8/h3-5,7,9H,2,6H2,1H3

InChIKey

SGROJTFSHJVVSF-UHFFFAOYSA-N

Compound name

N-(pyridin-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 136.10005 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.107326	127.6
[M+Na]+	159.089268	134.6
[M-H]-	135.092774	129.7
[M+NH4]+	154.133873	147.8
[M+K]+	175.063208	132.8
[M+H-H2O]+	119.097310	120.9
[M+HCOO]-	181.098251	152.2
[M+CH3COO]-	195.113901	175.8
[M+Na-2H]-	157.074716	136.8
[M]+	136.09950142	126.9
[M]-	136.10059858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe