CID 9588744

139886-10-5

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CO/N=C/C1=CCCN(C1)CC=C

InChI

InChI=1S/C10H16N2O/c1-3-6-12-7-4-5-10(9-12)8-11-13-2/h3,5,8H,1,4,6-7,9H2,2H3/b11-8+

InChIKey

NOHMKQNJQBNBSM-DHZHZOJOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.12627 Da
Monoisotopic Mass: 1.4
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]+	181.133546	140.4
[M+Na]+	203.115488	146.4
[M-H]-	179.118994	143.3
[M+NH4]+	198.160093	159.5
[M+K]+	219.089428	144.8
[M+H-H2O]+	163.123530	133.1
[M+HCOO]-	225.124471	163.6
[M+CH3COO]-	239.140121	185.9
[M+Na-2H]-	201.100936	146.2
[M]+	180.12572142	139.8
[M]-	180.12681858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe