CID 12063831

[2-(but-3-en-1-yl)phenyl]methanol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C=CCCC1=CC=CC=C1CO

InChI

InChI=1S/C11H14O/c1-2-3-6-10-7-4-5-8-11(10)9-12/h2,4-5,7-8,12H,1,3,6,9H2

InChIKey

SWELAMGVAPXARP-UHFFFAOYSA-N

Compound name

(2-but-3-enylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 162.10446 Da
Monoisotopic Mass: 2.4
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]+	163.11174	134.9
[M+Na]+	185.09368	142.3
[M-H]-	161.09718	137.2
[M+NH4]+	180.13828	155.3
[M+K]+	201.06762	139.0
[M+H-H2O]+	145.10172	129.6
[M+HCOO]-	207.10266	157.8
[M+CH3COO]-	221.11831	177.0
[M+Na-2H]-	183.07913	141.0
[M]+	162.10391	134.8
[M]-	162.10501	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe