CID 5875491

19053-95-3

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=NC(=C1)/C=C/C2=CC=CO2
InChI
InChI=1S/C11H9NO/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h1-9H/b7-6+
InChIKey
UQKAWCFMOSMMKN-VOTSOKGWSA-N
Compound name
2-[(E)-2-(furan-2-yl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 134.1
[M+Na]+ 194.057638 142.5
[M-H]- 170.061144 140.1
[M+NH4]+ 189.102243 153.3
[M+K]+ 210.031578 140.4
[M+H-H2O]+ 154.065680 127.0
[M+HCOO]- 216.066621 158.6
[M+CH3COO]- 230.082271 148.3
[M+Na-2H]- 192.043086 142.1
[M]+ 171.06787142 134.7
[M]- 171.06896858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe