CID 11768968

82483-65-6

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

COC(=O)N1CCCC(=C1)C=O

InChI

InChI=1S/C8H11NO3/c1-12-8(11)9-4-2-3-7(5-9)6-10/h5-6H,2-4H2,1H3

InChIKey

YEGLIGQHQVZTOS-UHFFFAOYSA-N

Compound name

methyl 5-formyl-3,4-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.0739 Da
Monoisotopic Mass: 0.1
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]+	170.08118	134.0
[M+Na]+	192.06312	141.1
[M-H]-	168.06662	136.0
[M+NH4]+	187.10772	153.1
[M+K]+	208.03706	140.7
[M+H-H2O]+	152.07116	127.7
[M+HCOO]-	214.07210	154.8
[M+CH3COO]-	228.08775	176.6
[M+Na-2H]-	190.04857	138.9
[M]+	169.07335	133.7
[M]-	169.07445	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.