CID 218303

40452-18-4

Structural Information

Molecular Formula

C₁₇H₁₈O

SMILES

CC(CO)C1=CC2=C(C=C1)C3=CC=CC=C3CC2

InChI

InChI=1S/C17H18O/c1-12(11-18)14-8-9-17-15(10-14)7-6-13-4-2-3-5-16(13)17/h2-5,8-10,12,18H,6-7,11H2,1H3

InChIKey

NJNXVQXOUUIOBZ-UHFFFAOYSA-N

Compound name

2-(9,10-dihydrophenanthren-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.13577 Da
Monoisotopic Mass: 3.7
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]+	239.143046	154.0
[M+Na]+	261.124988	160.8
[M-H]-	237.128494	157.6
[M+NH4]+	256.169593	173.1
[M+K]+	277.098928	155.7
[M+H-H2O]+	221.133030	147.3
[M+HCOO]-	283.133971	171.7
[M+CH3COO]-	297.149621	165.5
[M+Na-2H]-	259.110436	160.2
[M]+	238.13522142	152.4
[M]-	238.13631858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe