CID 9504095

Methyl 1-cyclopropyl-5-hydroxy-2-methyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CC1=C(C2=C(N1C3CC3)C=CC(=C2)O)C(=O)OC

InChI

InChI=1S/C14H15NO3/c1-8-13(14(17)18-2)11-7-10(16)5-6-12(11)15(8)9-3-4-9/h5-7,9,16H,3-4H2,1-2H3

InChIKey

FPLKUWNSSOMXKP-UHFFFAOYSA-N

Compound name

methyl 1-cyclopropyl-5-hydroxy-2-methylindole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.1052 Da
Monoisotopic Mass: 2.4
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]+	246.112476	154.0
[M+Na]+	268.094418	166.4
[M-H]-	244.097924	160.9
[M+NH4]+	263.139023	168.2
[M+K]+	284.068358	161.2
[M+H-H2O]+	228.102460	147.8
[M+HCOO]-	290.103401	176.0
[M+CH3COO]-	304.119051	195.1
[M+Na-2H]-	266.079866	157.0
[M]+	245.10465142	160.7
[M]-	245.10574858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.