CID 12066522

Methyl (2e)-3-(2-bromopyridin-3-yl)prop-2-enoate

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
COC(=O)/C=C/C1=C(N=CC=C1)Br
InChI
InChI=1S/C9H8BrNO2/c1-13-8(12)5-4-7-3-2-6-11-9(7)10/h2-6H,1H3/b5-4+
InChIKey
PPIPYDGEMVKNGV-SNAWJCMRSA-N
Compound name
methyl (E)-3-(2-bromo-3-pyridinyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

240.97385 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 140.9
[M+Na]+ 263.963068 152.7
[M-H]- 239.966574 146.0
[M+NH4]+ 259.007673 161.0
[M+K]+ 279.937008 142.0
[M+H-H2O]+ 223.971110 140.5
[M+HCOO]- 285.972051 161.6
[M+CH3COO]- 299.987701 187.1
[M+Na-2H]- 261.948516 148.4
[M]+ 240.97330142 160.9
[M]- 240.97439858 160.9
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

patents stripe