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 142.4
[M+Na]+ 227.07909 153.2
[M-H]- 203.08259 146.5
[M+NH4]+ 222.12369 163.3
[M+K]+ 243.05303 150.5
[M+H-H2O]+ 187.08713 136.2
[M+HCOO]- 249.08807 167.2
[M+CH3COO]- 263.10372 188.2
[M+Na-2H]- 225.06454 147.3
[M]+ 204.08932 145.5
[M]- 204.09042 145.5
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

patents stripe