CID 3054611

71479-89-5

Structural Information

Molecular Formula
C11H9NO
SMILES
C=COC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C11H9NO/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h2-8H,1H2
InChIKey
ZBSVEJZLCNGXHU-UHFFFAOYSA-N
Compound name
8-ethenoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 133.4
[M+Na]+ 194.05764 142.7
[M-H]- 170.06114 136.7
[M+NH4]+ 189.10224 153.6
[M+K]+ 210.03158 139.2
[M+H-H2O]+ 154.06568 126.6
[M+HCOO]- 216.06662 156.4
[M+CH3COO]- 230.08227 179.7
[M+Na-2H]- 192.04309 143.2
[M]+ 171.06787 134.4
[M]- 171.06897 134.4
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