CID 211906

23723-45-7

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C=CCC(=O)OCC1=CC(=CN=C1)F
InChI
InChI=1S/C10H10FNO2/c1-2-3-10(13)14-7-8-4-9(11)6-12-5-8/h2,4-6H,1,3,7H2
InChIKey
YWAQOJVOUSWXRQ-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl but-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 139.2
[M+Na]+ 218.05877 147.5
[M-H]- 194.06227 140.2
[M+NH4]+ 213.10337 157.3
[M+K]+ 234.03271 145.1
[M+H-H2O]+ 178.06681 131.6
[M+HCOO]- 240.06775 161.0
[M+CH3COO]- 254.08340 183.2
[M+Na-2H]- 216.04422 144.5
[M]+ 195.06900 140.0
[M]- 195.07010 140.0
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

No patent data available for this compound.