CID 35743

31143-55-2

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCC1=C(C=C(C=C1)C)O

InChI

InChI=1S/C10H14O/c1-3-4-9-6-5-8(2)7-10(9)11/h5-7,11H,3-4H2,1-2H3

InChIKey

NGSJNQJPYFYNJV-UHFFFAOYSA-N

Compound name

5-methyl-2-propylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 150.10446 Da
Monoisotopic Mass: 3.3
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]+	151.11174	131.4
[M+Na]+	173.09368	145.1
[M+NH4]+	168.13828	140.7
[M+K]+	189.06762	137.9
[M-H]-	149.09718	134.0
[M+Na-2H]-	171.07913	138.6
[M]+	150.10391	134.2
[M]-	150.10501	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe