CID 112474

1-penten-3-ol, 3-methyl-1-phenyl-

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

3
Annotation Hits: 0
References: 8
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]+	177.127396	140.5
[M+Na]+	199.109338	147.1
[M-H]-	175.112844	142.5
[M+NH4]+	194.153943	160.2
[M+K]+	215.083278	143.9
[M+H-H2O]+	159.117380	135.4
[M+HCOO]-	221.118321	161.5
[M+CH3COO]-	235.133971	178.5
[M+Na-2H]-	197.094786	147.3
[M]+	176.11957142	139.8
[M]-	176.12066858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe