CID 71129532

281204-89-5

Structural Information

Molecular Formula

C₁₀H₁₆INO₂

SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)I

InChI

InChI=1S/C10H16INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h4H,5-7H2,1-3H3

InChIKey

HZWIVXXHANBLDO-UHFFFAOYSA-N

Compound name

tert-butyl 4-iodo-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.02258 Da
Monoisotopic Mass: 2.0
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]+	310.02986	154.1
[M+Na]+	332.01180	153.4
[M-H]-	308.01530	149.1
[M+NH4]+	327.05640	167.4
[M+K]+	347.98574	158.5
[M+H-H2O]+	292.01984	144.5
[M+HCOO]-	354.02078	167.2
[M+CH3COO]-	368.03643	192.4
[M+Na-2H]-	329.99725	146.2
[M]+	309.02203	150.9
[M]-	309.02313	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe