CID 131385454

Methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

COC(=O)C1=CC(=NC=C1Br)C2CC2

InChI

InChI=1S/C10H10BrNO2/c1-14-10(13)7-4-9(6-2-3-6)12-5-8(7)11/h4-6H,2-3H2,1H3

InChIKey

JJZSVHBWGYNQRV-UHFFFAOYSA-N

Compound name

methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.98949 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.996766	149.0
[M+Na]+	277.978708	162.7
[M-H]-	253.982214	158.1
[M+NH4]+	273.023313	164.3
[M+K]+	293.952648	151.4
[M+H-H2O]+	237.986750	147.9
[M+HCOO]-	299.987691	169.8
[M+CH3COO]-	314.003341	193.9
[M+Na-2H]-	275.964156	155.3
[M]+	254.98894142	170.6
[M]-	254.99003858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe