CID 61268415

1293162-36-3

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂

SMILES

COC1=CC=C(C=C1)COC2=C(C=CC=N2)CCl

InChI

InChI=1S/C14H14ClNO2/c1-17-13-6-4-11(5-7-13)10-18-14-12(9-15)3-2-8-16-14/h2-8H,9-10H2,1H3

InChIKey

IQVAXDXCVVIBNB-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-2-[(4-methoxyphenyl)methoxy]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 263.07132 Da
Monoisotopic Mass: 3.0
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]+	264.078596	156.5
[M+Na]+	286.060538	165.6
[M-H]-	262.064044	161.7
[M+NH4]+	281.105143	172.7
[M+K]+	302.034478	160.9
[M+H-H2O]+	246.068580	148.6
[M+HCOO]-	308.069521	175.3
[M+CH3COO]-	322.085171	194.7
[M+Na-2H]-	284.045986	162.7
[M]+	263.07077142	161.7
[M]-	263.07186858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe