CID 6282889

57132-28-2

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC(C)(/C=C/C1=CC=CC=C1)O

InChI

InChI=1S/C11H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+

InChIKey

AHTMRLFEKXDXJS-CMDGGOBGSA-N

Compound name

(E)-2-methyl-4-phenylbut-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 40
Patents: 162.10446 Da
Monoisotopic Mass: 2.3
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]+	163.11174	135.8
[M+Na]+	185.09368	142.8
[M-H]-	161.09718	138.0
[M+NH4]+	180.13828	156.1
[M+K]+	201.06762	139.9
[M+H-H2O]+	145.10172	130.9
[M+HCOO]-	207.10266	157.2
[M+CH3COO]-	221.11831	175.5
[M+Na-2H]-	183.07913	143.2
[M]+	162.10391	134.8
[M]-	162.10501	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe