CID 84683649

Ethyl 5-amino-3-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)N)C
InChI
InChI=1S/C12H14N2O2/c1-3-16-12(15)11-7(2)9-6-8(13)4-5-10(9)14-11/h4-6,14H,3,13H2,1-2H3
InChIKey
PPLPTNVCVSBQBM-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

218.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.6
[M+Na]+ 241.09475 157.5
[M-H]- 217.09825 150.1
[M+NH4]+ 236.13935 167.2
[M+K]+ 257.06869 153.7
[M+H-H2O]+ 201.10279 141.5
[M+HCOO]- 263.10373 170.5
[M+CH3COO]- 277.11938 188.8
[M+Na-2H]- 239.08020 151.5
[M]+ 218.10498 149.2
[M]- 218.10608 149.2
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