CID 50989132

Methyl 3-iodo-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C10H8INO2
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2I
InChI
InChI=1S/C10H8INO2/c1-14-10(13)6-2-3-9-7(4-6)8(11)5-12-9/h2-5,12H,1H3
InChIKey
IZPCAXPMBYCTFR-UHFFFAOYSA-N
Compound name
methyl 3-iodo-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

300.96 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.96728 144.7
[M+Na]+ 323.94922 148.0
[M-H]- 299.95272 140.4
[M+NH4]+ 318.99382 160.4
[M+K]+ 339.92316 150.6
[M+H-H2O]+ 283.95726 135.3
[M+HCOO]- 345.95820 162.5
[M+CH3COO]- 359.97385 188.6
[M+Na-2H]- 321.93467 138.7
[M]+ 300.95945 144.2
[M]- 300.96055 144.2
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