CID 543636

69668-82-2

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CCC=CC=CC(C)O

InChI

InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3

InChIKey

RQQKJGCMOJSSOV-UHFFFAOYSA-N

Compound name

octa-3,5-dien-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 126.10446 Da
Monoisotopic Mass: 1.9
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]+	127.11174	129.7
[M+Na]+	149.09368	139.7
[M+NH4]+	144.13828	137.3
[M+K]+	165.06762	133.7
[M-H]-	125.09718	128.6
[M+Na-2H]-	147.07913	132.7
[M]+	126.10391	130.5
[M]-	126.10501	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe