CID 105452520

Methyl 3-(6-chloropyridin-3-yl)propanoate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
COC(=O)CCC1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-13-9(12)5-3-7-2-4-8(10)11-6-7/h2,4,6H,3,5H2,1H3
InChIKey
VYEUMGWVPBDAED-UHFFFAOYSA-N
Compound name
methyl 3-(6-chloropyridin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.04001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 138.5
[M+Na]+ 222.02923 147.7
[M-H]- 198.03273 140.9
[M+NH4]+ 217.07383 157.5
[M+K]+ 238.00317 144.7
[M+H-H2O]+ 182.03727 132.7
[M+HCOO]- 244.03821 156.9
[M+CH3COO]- 258.05386 182.2
[M+Na-2H]- 220.01468 144.5
[M]+ 199.03946 142.7
[M]- 199.04056 142.7
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