CID 11218231

Ethyl 2-amino-2-(1h-indol-3-yl)acetate

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCOC(=O)C(C1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C12H14N2O2/c1-2-16-12(15)11(13)9-7-14-10-6-4-3-5-8(9)10/h3-7,11,14H,2,13H2,1H3
InChIKey
IVHQNHHFWAQLNC-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-(1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.1
[M+Na]+ 241.09475 155.9
[M-H]- 217.09825 149.9
[M+NH4]+ 236.13935 166.9
[M+K]+ 257.06869 152.5
[M+H-H2O]+ 201.10279 141.5
[M+HCOO]- 263.10373 170.0
[M+CH3COO]- 277.11938 187.2
[M+Na-2H]- 239.08020 152.2
[M]+ 218.10498 148.2
[M]- 218.10608 148.2
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