CID 10492522

183433-66-1

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₄

SMILES

CCC1(OCCO1)C2=CC(=NC(=C2CO)OC)Cl

InChI

InChI=1S/C12H16ClNO4/c1-3-12(17-4-5-18-12)9-6-10(13)14-11(16-2)8(9)7-15/h6,15H,3-5,7H2,1-2H3

InChIKey

JQBUSZZMOSXWFP-UHFFFAOYSA-N

Compound name

[6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-pyridinyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 273.07678 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]+	274.084056	157.4
[M+Na]+	296.065998	166.6
[M-H]-	272.069504	163.0
[M+NH4]+	291.110603	173.9
[M+K]+	312.039938	165.2
[M+H-H2O]+	256.074040	151.9
[M+HCOO]-	318.074981	171.8
[M+CH3COO]-	332.090631	191.9
[M+Na-2H]-	294.051446	162.0
[M]+	273.07623142	162.8
[M]-	273.07732858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe