CID 115830

64394-19-0

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC1(CC(C2C3CCCCC3C2(C1)C)O)C

InChI

InChI=1S/C15H26O/c1-14(2)8-12(16)13-10-6-4-5-7-11(10)15(13,3)9-14/h10-13,16H,4-9H2,1-3H3

InChIKey

DGSPVRDUQBYTCW-UHFFFAOYSA-N

Compound name

3,3,4a-trimethyl-1,2,4,4b,5,6,7,8,8a,8b-decahydrobiphenylen-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 222.19836 Da
Monoisotopic Mass: 4.6
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]+	223.205636	154.1
[M+Na]+	245.187578	159.3
[M-H]-	221.191084	157.5
[M+NH4]+	240.232183	171.8
[M+K]+	261.161518	158.5
[M+H-H2O]+	205.195620	145.4
[M+HCOO]-	267.196561	166.1
[M+CH3COO]-	281.212211	193.7
[M+Na-2H]-	243.173026	157.9
[M]+	222.19781142	157.6
[M]-	222.19890858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe