CID 14932945

3-(chloromethyl)-2-methoxypyridine

Structural Information

Molecular Formula
C7H8ClNO
SMILES
COC1=C(C=CC=N1)CCl
InChI
InChI=1S/C7H8ClNO/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
BWCOLJNFJZDWEF-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

157.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 127.2
[M+Na]+ 180.018648 137.2
[M-H]- 156.022154 129.7
[M+NH4]+ 175.063253 148.0
[M+K]+ 195.992588 134.3
[M+H-H2O]+ 140.026690 121.9
[M+HCOO]- 202.027631 146.8
[M+CH3COO]- 216.043281 175.0
[M+Na-2H]- 178.004096 135.5
[M]+ 157.02888142 130.6
[M]- 157.02997858 130.6
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