CID 9588740

3-pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-pentyl-, o-methyloxime, monohydrochloride, (e)-

Structural Information

Molecular Formula

C₁₂H₂₂N₂O

SMILES

CCCCCN1CCC=C(C1)/C=N/OC

InChI

InChI=1S/C12H22N2O/c1-3-4-5-8-14-9-6-7-12(11-14)10-13-15-2/h7,10H,3-6,8-9,11H2,1-2H3/b13-10+

InChIKey

QUQLGADRAQBBKN-JLHYYAGUSA-N

Compound name

(E)-N-methoxy-1-(1-pentyl-3,6-dihydro-2H-pyridin-5-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.17322 Da
Monoisotopic Mass: 2.5
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]+	211.180496	150.9
[M+Na]+	233.162438	155.7
[M-H]-	209.165944	153.3
[M+NH4]+	228.207043	168.9
[M+K]+	249.136378	154.2
[M+H-H2O]+	193.170480	143.1
[M+HCOO]-	255.171421	173.2
[M+CH3COO]-	269.187071	192.9
[M+Na-2H]-	231.147886	155.6
[M]+	210.17267142	151.7
[M]-	210.17376858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe