CID 21416509

1-biphenylenol, dodecahydro-1,3,3,4a-tetramethyl-

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CC1(CC2(C3CCCCC3C2C(C1)(C)O)C)C

InChI

InChI=1S/C16H28O/c1-14(2)9-15(3)12-8-6-5-7-11(12)13(15)16(4,17)10-14/h11-13,17H,5-10H2,1-4H3

InChIKey

RSSVUYPTUJMLJY-UHFFFAOYSA-N

Compound name

1,3,3,4a-tetramethyl-4,4b,5,6,7,8,8a,8b-octahydro-2H-biphenylen-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 236.21402 Da
Monoisotopic Mass: 4.8
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]+	237.221296	159.6
[M+Na]+	259.203238	165.5
[M-H]-	235.206744	163.2
[M+NH4]+	254.247843	178.7
[M+K]+	275.177178	164.4
[M+H-H2O]+	219.211280	151.6
[M+HCOO]-	281.212221	171.2
[M+CH3COO]-	295.227871	196.5
[M+Na-2H]-	257.188686	163.8
[M]+	236.21347142	163.9
[M]-	236.21456858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe