CID 148421

Pterosin l

Structural Information

Molecular Formula

C₁₅H₂₀O₄

SMILES

CC1=CC2=C(C(=C1CCO)C)C(=O)[C@]([C@H]2O)(C)CO

InChI

InChI=1S/C15H20O4/c1-8-6-11-12(9(2)10(8)4-5-16)14(19)15(3,7-17)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3/t13-,15+/m0/s1

InChIKey

OOAFRMHKOSBPID-DZGCQCFKSA-N

Compound name

(2R,3S)-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 264.13617 Da
Monoisotopic Mass: 1.1
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]+	265.143446	158.3
[M+Na]+	287.125388	168.6
[M-H]-	263.128894	160.0
[M+NH4]+	282.169993	179.1
[M+K]+	303.099328	164.1
[M+H-H2O]+	247.133430	155.0
[M+HCOO]-	309.134371	176.3
[M+CH3COO]-	323.150021	194.0
[M+Na-2H]-	285.110836	159.5
[M]+	264.13562142	160.8
[M]-	264.13671858	160.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.