CID 160492

6197-39-3

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C1=CCCNC1

InChI

InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3

InChIKey

DYPLDWLIOGXSSE-UHFFFAOYSA-N

Compound name

methyl 1,2,3,6-tetrahydropyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 281
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]+	142.08626	129.2
[M+Na]+	164.06820	135.0
[M-H]-	140.07170	129.5
[M+NH4]+	159.11280	148.4
[M+K]+	180.04214	134.0
[M+H-H2O]+	124.07624	123.1
[M+HCOO]-	186.07718	148.4
[M+CH3COO]-	200.09283	169.3
[M+Na-2H]-	162.05365	134.7
[M]+	141.07843	125.6
[M]-	141.07953	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe