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-bromopyridin-3-yl)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]+ 241.98113 140.9
[M+Na]+ 263.96307 152.7
[M-H]- 239.96657 146.0
[M+NH4]+ 259.00767 161.0
[M+K]+ 279.93701 142.0
[M+H-H2O]+ 223.97111 140.5
[M+HCOO]- 285.97205 161.6
[M+CH3COO]- 299.98770 187.1
[M+Na-2H]- 261.94852 148.4
[M]+ 240.97330 160.9
[M]- 240.97440 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