CID 10847307

Alcyopterosins o

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1=CC2=C(CC(C2)(C)C)C(=C1CCO)CO

InChI

InChI=1S/C15H22O2/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,16-17H,4-5,7-9H2,1-3H3

InChIKey

BQJOEAFEARPHDH-UHFFFAOYSA-N

Compound name

2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.16199 Da
Monoisotopic Mass: 2.5
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]+	235.169266	154.7
[M+Na]+	257.151208	163.7
[M-H]-	233.154714	157.2
[M+NH4]+	252.195813	177.2
[M+K]+	273.125148	159.3
[M+H-H2O]+	217.159250	150.7
[M+HCOO]-	279.160191	173.9
[M+CH3COO]-	293.175841	190.2
[M+Na-2H]-	255.136656	157.2
[M]+	234.16144142	155.9
[M]-	234.16253858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe