CID 14751740

2-(chloromethyl)-5-ethoxypyridine hydrochloride

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CCOC1=CN=C(C=C1)CCl
InChI
InChI=1S/C8H10ClNO/c1-2-11-8-4-3-7(5-9)10-6-8/h3-4,6H,2,5H2,1H3
InChIKey
OAEDWUPZIBOQMF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-ethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

171.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.052366 132.0
[M+Na]+ 194.034308 141.5
[M-H]- 170.037814 134.2
[M+NH4]+ 189.078913 152.2
[M+K]+ 210.008248 138.4
[M+H-H2O]+ 154.042350 126.3
[M+HCOO]- 216.043291 151.2
[M+CH3COO]- 230.058941 178.0
[M+Na-2H]- 192.019756 139.7
[M]+ 171.04454142 135.7
[M]- 171.04563858 135.7
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