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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 156.5
[M+Na]+ 286.06054 165.6
[M-H]- 262.06404 161.7
[M+NH4]+ 281.10514 172.7
[M+K]+ 302.03448 160.9
[M+H-H2O]+ 246.06858 148.6
[M+HCOO]- 308.06952 175.3
[M+CH3COO]- 322.08517 194.7
[M+Na-2H]- 284.04599 162.7
[M]+ 263.07077 161.7
[M]- 263.07187 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe