CID 68386764

Methyl 3-amino-1-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)OC)N
InChI
InChI=1S/C11H12N2O2/c1-13-8-6-4-3-5-7(8)9(12)10(13)11(14)15-2/h3-6H,12H2,1-2H3
InChIKey
AGXPRVBEODFHTN-UHFFFAOYSA-N
Compound name
methyl 3-amino-1-methylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.6
[M+Na]+ 227.07909 155.2
[M+NH4]+ 222.12369 150.6
[M+K]+ 243.05303 151.4
[M-H]- 203.08259 144.3
[M+Na-2H]- 225.06454 148.1
[M]+ 204.08932 144.7
[M]- 204.09042 144.7
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

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