CID 15290294

1-[2-(dimethylamino)ethyl]-1h-indole-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CN(C)CCN1C=C(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H16N2O2/c1-14(2)7-8-15-9-11(13(16)17)10-5-3-4-6-12(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKey
WNNDRPCHXLHBSP-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.12119 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.7
[M+Na]+ 255.11041 160.2
[M-H]- 231.11391 155.5
[M+NH4]+ 250.15501 171.1
[M+K]+ 271.08435 157.9
[M+H-H2O]+ 215.11845 144.8
[M+HCOO]- 277.11939 175.3
[M+CH3COO]- 291.13504 195.2
[M+Na-2H]- 253.09586 156.0
[M]+ 232.12064 155.5
[M]- 232.12174 155.5
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