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

4
Patents

216.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 148.1
[M+Na]+ 239.10426 161.5
[M+NH4]+ 234.14886 157.0
[M+K]+ 255.07820 154.5
[M-H]- 215.10776 150.5
[M+Na-2H]- 237.08971 154.3
[M]+ 216.11449 150.7
[M]- 216.11559 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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