CID 62226798

Methyl 2-chloro-2-(pyridin-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
COC(=O)C(C1=CN=CC=C1)Cl
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)7(9)6-3-2-4-10-5-6/h2-5,7H,1H3
InChIKey
KHZUCERFSGXKSM-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.02435 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.1
[M+Na]+ 208.01357 142.5
[M-H]- 184.01707 136.4
[M+NH4]+ 203.05817 153.3
[M+K]+ 223.98751 140.2
[M+H-H2O]+ 168.02161 128.4
[M+HCOO]- 230.02255 151.9
[M+CH3COO]- 244.03820 179.0
[M+Na-2H]- 205.99902 140.2
[M]+ 185.02380 137.0
[M]- 185.02490 137.0
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

No patent data available for this compound.