CID 44602460

A 2-demethylmenaquinol

Structural Information

Molecular Formula
C15H16O2
SMILES
CC(=CCC1=C(C2=CC=CC=C2C(=C1)O)O)C
InChI
InChI=1S/C15H16O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9,16-17H,8H2,1-2H3
InChIKey
RCAWOWBPYYYZPZ-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enyl)naphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11504 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 151.3
[M+Na]+ 251.104258 159.6
[M-H]- 227.107764 153.6
[M+NH4]+ 246.148863 169.7
[M+K]+ 267.078198 154.7
[M+H-H2O]+ 211.112300 145.8
[M+HCOO]- 273.113241 170.4
[M+CH3COO]- 287.128891 188.6
[M+Na-2H]- 249.089706 155.3
[M]+ 228.11449142 151.1
[M]- 228.11558858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.