CID 618997

Ethyl 1-ethyl-5-hydroxy-2-methyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CCN1C(=C(C2=C1C=CC(=C2)O)C(=O)OCC)C

InChI

InChI=1S/C14H17NO3/c1-4-15-9(3)13(14(17)18-5-2)11-8-10(16)6-7-12(11)15/h6-8,16H,4-5H2,1-3H3

InChIKey

FXMYTLXTYCIQED-UHFFFAOYSA-N

Compound name

ethyl 1-ethyl-5-hydroxy-2-methylindole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 247.12085 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.12813	155.0
[M+Na]+	270.11007	165.7
[M-H]-	246.11357	158.1
[M+NH4]+	265.15467	174.2
[M+K]+	286.08401	162.4
[M+H-H2O]+	230.11811	149.0
[M+HCOO]-	292.11905	177.0
[M+CH3COO]-	306.13470	193.7
[M+Na-2H]-	268.09552	157.8
[M]+	247.12030	160.8
[M]-	247.12140	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe