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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 149.0
[M+Na]+ 277.97871 162.7
[M-H]- 253.98221 158.1
[M+NH4]+ 273.02331 164.3
[M+K]+ 293.95265 151.4
[M+H-H2O]+ 237.98675 147.9
[M+HCOO]- 299.98769 169.8
[M+CH3COO]- 314.00334 193.9
[M+Na-2H]- 275.96416 155.3
[M]+ 254.98894 170.6
[M]- 254.99004 170.6
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