CID 157057

2,7-dihydroxycadalene

Structural Information

Molecular Formula

C₁₅H₁₈O₂

SMILES

CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C

InChI

InChI=1S/C15H18O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5-8,16-17H,1-4H3

InChIKey

OKOXDXHTJZNGOM-UHFFFAOYSA-N

Compound name

1,6-dimethyl-4-propan-2-ylnaphthalene-2,7-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 230.13068 Da
Monoisotopic Mass: 4.3
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]+	231.13796	151.4
[M+Na]+	253.11990	161.1
[M-H]-	229.12340	154.4
[M+NH4]+	248.16450	170.4
[M+K]+	269.09384	157.1
[M+H-H2O]+	213.12794	146.3
[M+HCOO]-	275.12888	170.2
[M+CH3COO]-	289.14453	192.7
[M+Na-2H]-	251.10535	154.1
[M]+	230.13013	152.8
[M]-	230.13123	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe