CID 11011279

Methyl 2-amino-6-iodobenzoate

Structural Information

Molecular Formula
C8H8INO2
SMILES
COC(=O)C1=C(C=CC=C1I)N
InChI
InChI=1S/C8H8INO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,10H2,1H3
InChIKey
WLALCEBDEFFUEC-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

276.96 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96728 147.1
[M+Na]+ 299.94922 148.4
[M-H]- 275.95272 143.8
[M+NH4]+ 294.99382 162.2
[M+K]+ 315.92316 152.8
[M+H-H2O]+ 259.95726 137.6
[M+HCOO]- 321.95820 166.3
[M+CH3COO]- 335.97385 189.5
[M+Na-2H]- 297.93467 139.3
[M]+ 276.95945 144.4
[M]- 276.96055 144.4
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