CID 218302

2-phenanthreneethanol, beta-methyl-

Structural Information

Molecular Formula

C₁₇H₁₆O

SMILES

CC(CO)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2

InChI

InChI=1S/C17H16O/c1-12(11-18)14-8-9-17-15(10-14)7-6-13-4-2-3-5-16(13)17/h2-10,12,18H,11H2,1H3

InChIKey

RMMMEPSVCACSHE-UHFFFAOYSA-N

Compound name

2-phenanthren-2-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.12012 Da
Monoisotopic Mass: 4.7
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]+	237.127396	152.2
[M+Na]+	259.109338	161.1
[M-H]-	235.112844	156.7
[M+NH4]+	254.153943	171.6
[M+K]+	275.083278	155.7
[M+H-H2O]+	219.117380	145.6
[M+HCOO]-	281.118321	172.9
[M+CH3COO]-	295.133971	164.8
[M+Na-2H]-	257.094786	160.4
[M]+	236.11957142	153.5
[M]-	236.12066858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe