CID 10846187

159153-39-6

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
CCOC(=O)/C=C/C1=CN=C(C=C1)Cl
InChI
InChI=1S/C10H10ClNO2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3/b6-4+
InChIKey
FHRIBCCVJCCJCZ-GQCTYLIASA-N
Compound name
ethyl (E)-3-(6-chloro-3-pyridinyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

211.04001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 142.2
[M+Na]+ 234.029228 151.4
[M-H]- 210.032734 144.5
[M+NH4]+ 229.073833 160.8
[M+K]+ 250.003168 147.5
[M+H-H2O]+ 194.037270 136.4
[M+HCOO]- 256.038211 160.5
[M+CH3COO]- 270.053861 183.7
[M+Na-2H]- 232.014676 147.7
[M]+ 211.03946142 146.0
[M]- 211.04055858 146.0
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