CID 9578336

139886-03-6

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CO/N=C/C1=CCCNC1

InChI

InChI=1S/C7H12N2O/c1-10-9-6-7-3-2-4-8-5-7/h3,6,8H,2,4-5H2,1H3/b9-6+

InChIKey

YIQBHPFHKPIDSO-RMKNXTFCSA-N

Compound name

(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 140.09496 Da
Monoisotopic Mass: 0.3
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]+	141.10224	128.9
[M+Na]+	163.08418	134.5
[M-H]-	139.08768	130.5
[M+NH4]+	158.12878	148.6
[M+K]+	179.05812	133.3
[M+H-H2O]+	123.09222	122.1
[M+HCOO]-	185.09316	151.4
[M+CH3COO]-	199.10881	173.9
[M+Na-2H]-	161.06963	136.5
[M]+	140.09441	125.6
[M]-	140.09551	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe