CID 112474

Styryl methyl ethyl carbinol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CCC(C)(C=CC1=CC=CC=C1)O

InChI

InChI=1S/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3

InChIKey

BMZIBDNSLIDIFP-UHFFFAOYSA-N

Compound name

3-methyl-1-phenylpent-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 176.12012 Da
Monoisotopic Mass: 2.8
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]+	177.12740	140.5
[M+Na]+	199.10934	147.1
[M-H]-	175.11284	142.5
[M+NH4]+	194.15394	160.2
[M+K]+	215.08328	143.9
[M+H-H2O]+	159.11738	135.4
[M+HCOO]-	221.11832	161.5
[M+CH3COO]-	235.13397	178.5
[M+Na-2H]-	197.09479	147.3
[M]+	176.11957	139.8
[M]-	176.12067	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe