CID 16788102

851773-43-8

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCOC1=C(C=CC=N1)CN

InChI

InChI=1S/C8H12N2O/c1-2-11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3

InChIKey

STCIIFCOOYREBT-UHFFFAOYSA-N

Compound name

(2-ethoxy-3-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 152.09496 Da
Monoisotopic Mass: 0.4
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]+	153.102236	131.2
[M+Na]+	175.084178	139.1
[M-H]-	151.087684	133.2
[M+NH4]+	170.128783	150.7
[M+K]+	191.058118	137.4
[M+H-H2O]+	135.092220	124.5
[M+HCOO]-	197.093161	155.5
[M+CH3COO]-	211.108811	178.2
[M+Na-2H]-	173.069626	138.6
[M]+	152.09441142	131.3
[M]-	152.09550858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe