CID 19605739

3-(2-aminoethyl)-1h-indole-5-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1=CC2=C(C=C1C(=O)O)C(=CN2)CCN
InChI
InChI=1S/C11H12N2O2/c12-4-3-8-6-13-10-2-1-7(11(14)15)5-9(8)10/h1-2,5-6,13H,3-4,12H2,(H,14,15)
InChIKey
CDWFDLYRKQOGNR-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

26
Patents

204.08987 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.9
[M+Na]+ 227.079088 151.8
[M-H]- 203.082594 143.8
[M+NH4]+ 222.123693 161.9
[M+K]+ 243.053028 147.3
[M+H-H2O]+ 187.087130 136.9
[M+HCOO]- 249.088071 164.6
[M+CH3COO]- 263.103721 182.8
[M+Na-2H]- 225.064536 147.6
[M]+ 204.08932142 142.0
[M]- 204.09041858 142.0
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