CID 9588796

145071-33-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₃

SMILES

CC(C)OC(=O)N1CCC=C(C1)/C=N/OC

InChI

InChI=1S/C11H18N2O3/c1-9(2)16-11(14)13-6-4-5-10(8-13)7-12-15-3/h5,7,9H,4,6,8H2,1-3H3/b12-7+

InChIKey

UJMFSQKWQMWATK-KPKJPENVSA-N

Compound name

propan-2-yl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.13174 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]+	227.139016	151.7
[M+Na]+	249.120958	156.8
[M-H]-	225.124464	154.7
[M+NH4]+	244.165563	168.9
[M+K]+	265.094898	157.0
[M+H-H2O]+	209.129000	144.2
[M+HCOO]-	271.129941	173.1
[M+CH3COO]-	285.145591	193.4
[M+Na-2H]-	247.106406	154.6
[M]+	226.13119142	153.0
[M]-	226.13228858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.