CID 28054474

943419-35-0

Structural Information

Molecular Formula
C10H11BrN2O2
SMILES
CCOC(=O)/C=C/C1=C(N=CC(=C1)Br)N
InChI
InChI=1S/C10H11BrN2O2/c1-2-15-9(14)4-3-7-5-8(11)6-13-10(7)12/h3-6H,2H2,1H3,(H2,12,13)/b4-3+
InChIKey
HSKGBWXXHWXUPV-ONEGZZNKSA-N
Compound name
ethyl (E)-3-(2-amino-5-bromopyridin-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.0004 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00768 149.9
[M+Na]+ 292.98962 161.1
[M-H]- 268.99312 154.5
[M+NH4]+ 288.03422 168.4
[M+K]+ 308.96356 149.3
[M+H-H2O]+ 252.99766 148.4
[M+HCOO]- 314.99860 170.5
[M+CH3COO]- 329.01425 195.0
[M+Na-2H]- 290.97507 155.3
[M]+ 269.99985 168.8
[M]- 270.00095 168.8
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