CID 24841930

89816-13-7

Structural Information

Molecular Formula

C₁₃H₁₇NO₅

SMILES

CCCCOC1=CN=C(C=C1)C(=O)OCOC(=O)C

InChI

InChI=1S/C13H17NO5/c1-3-4-7-17-11-5-6-12(14-8-11)13(16)19-9-18-10(2)15/h5-6,8H,3-4,7,9H2,1-2H3

InChIKey

CURNKKIPWJRXSB-UHFFFAOYSA-N

Compound name

acetyloxymethyl 5-butoxypyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.1107 Da
Monoisotopic Mass: 2.2
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]+	268.11798	160.0
[M+Na]+	290.09992	170.3
[M+NH4]+	285.14452	165.0
[M+K]+	306.07386	165.9
[M-H]-	266.10342	158.9
[M+Na-2H]-	288.08537	163.8
[M]+	267.11015	160.8
[M]-	267.11125	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe