CID 46928273

Refchem:400864

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

C1CC2=C(C[C@@H]1N)C3=CC=CC=C3N2CCC(=O)O

InChI

InChI=1S/C15H18N2O2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h1-4,10H,5-9,16H2,(H,18,19)/t10-/m1/s1

InChIKey

RRWZRHNYCZSEBR-SNVBAGLBSA-N

Compound name

3-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.13684 Da
Monoisotopic Mass: -1.0
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]+	259.144116	158.1
[M+Na]+	281.126058	165.8
[M-H]-	257.129564	160.4
[M+NH4]+	276.170663	176.5
[M+K]+	297.099998	160.9
[M+H-H2O]+	241.134100	151.4
[M+HCOO]-	303.135041	176.8
[M+CH3COO]-	317.150691	169.3
[M+Na-2H]-	279.111506	161.5
[M]+	258.13629142	156.7
[M]-	258.13738858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe