CID 15683411

56138-10-4

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1=CC=C(C=C1)/C=C(\C)/CO

InChI

InChI=1S/C11H14O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-7,12H,8H2,1-2H3/b10-7+

InChIKey

WWHATUWNHYNMNW-JXMROGBWSA-N

Compound name

(E)-2-methyl-3-(4-methylphenyl)prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 74
Patents: 162.10446 Da
Monoisotopic Mass: 2.7
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	135.4
[M+Na]+	185.09368	142.7
[M-H]-	161.09718	137.8
[M+NH4]+	180.13828	155.8
[M+K]+	201.06762	139.8
[M+H-H2O]+	145.10172	130.2
[M+HCOO]-	207.10266	157.3
[M+CH3COO]-	221.11831	177.2
[M+Na-2H]-	183.07913	140.2
[M]+	162.10391	134.6
[M]-	162.10501	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe