CID 19933739

6-hydroxy-alpha-methyl-2-naphthalenepropanol

Structural Information

Molecular Formula

C₁₄H₁₆O₂

SMILES

CC(CCC1=CC2=C(C=C1)C=C(C=C2)O)O

InChI

InChI=1S/C14H16O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-10,15-16H,2-3H2,1H3

InChIKey

ATMFTHAMCVAMOK-UHFFFAOYSA-N

Compound name

6-(3-hydroxybutyl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.11504 Da
Monoisotopic Mass: 3.2
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]+	217.122316	148.2
[M+Na]+	239.104258	155.5
[M-H]-	215.107764	150.1
[M+NH4]+	234.148863	166.7
[M+K]+	255.078198	151.5
[M+H-H2O]+	199.112300	142.5
[M+HCOO]-	261.113241	167.4
[M+CH3COO]-	275.128891	185.9
[M+Na-2H]-	237.089706	153.4
[M]+	216.11449142	147.9
[M]-	216.11558858	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe