CID 12549675

70684-82-1

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C1=CCNCC1

InChI

InChI=1S/C7H11NO2/c1-10-7(9)6-2-4-8-5-3-6/h2,8H,3-5H2,1H3

InChIKey

YJBXHMHSOCHRLV-UHFFFAOYSA-N

Compound name

methyl 1,2,3,6-tetrahydropyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 141.07898 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]+	142.086256	129.2
[M+Na]+	164.068198	135.0
[M-H]-	140.071704	129.5
[M+NH4]+	159.112803	148.4
[M+K]+	180.042138	134.0
[M+H-H2O]+	124.076240	123.1
[M+HCOO]-	186.077181	148.4
[M+CH3COO]-	200.092831	169.3
[M+Na-2H]-	162.053646	134.7
[M]+	141.07843142	125.6
[M]-	141.07952858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe