CID 155970576

Methyl 3-iodoquinoline-8-carboxylate

Structural Information

Molecular Formula
C11H8INO2
SMILES
COC(=O)C1=CC=CC2=CC(=CN=C21)I
InChI
InChI=1S/C11H8INO2/c1-15-11(14)9-4-2-3-7-5-8(12)6-13-10(7)9/h2-6H,1H3
InChIKey
ZECTWWFZVOPUHZ-UHFFFAOYSA-N
Compound name
methyl 3-iodoquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.96 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.96728 146.6
[M+Na]+ 335.94922 148.9
[M-H]- 311.95272 143.0
[M+NH4]+ 330.99382 160.6
[M+K]+ 351.92316 152.2
[M+H-H2O]+ 295.95726 136.2
[M+HCOO]- 357.95820 163.4
[M+CH3COO]- 371.97385 194.1
[M+Na-2H]- 333.93467 142.3
[M]+ 312.95945 146.1
[M]- 312.96055 146.1
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.