CID 155943601

2613384-86-2

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
COC(=O)C(CC1=NC(=CC=C1)Br)N
InChI
InChI=1S/C9H11BrN2O2/c1-14-9(13)7(11)5-6-3-2-4-8(10)12-6/h2-4,7H,5,11H2,1H3
InChIKey
PGHIQNXEYGLRCO-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(6-bromopyridin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 147.6
[M+Na]+ 280.98962 157.7
[M-H]- 256.99312 152.0
[M+NH4]+ 276.03422 166.2
[M+K]+ 296.96356 147.2
[M+H-H2O]+ 240.99766 146.1
[M+HCOO]- 302.99860 167.4
[M+CH3COO]- 317.01425 193.3
[M+Na-2H]- 278.97507 152.9
[M]+ 257.99985 165.9
[M]- 258.00095 165.9
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.