CID 14625089

Methyl 2-(chloromethyl)pyridine-4-carboxylate

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
COC(=O)C1=CC(=NC=C1)CCl
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,5H2,1H3
InChIKey
HHNGBEJGNFNNDX-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

185.02435 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 133.8
[M+Na]+ 208.013568 143.4
[M-H]- 184.017074 136.3
[M+NH4]+ 203.058173 153.4
[M+K]+ 223.987508 140.6
[M+H-H2O]+ 168.021610 128.2
[M+HCOO]- 230.022551 152.5
[M+CH3COO]- 244.038201 179.2
[M+Na-2H]- 205.999016 140.3
[M]+ 185.02380142 137.6
[M]- 185.02489858 137.6
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