CID 7147

1-phenyl-1-propanol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CCC(C1=CC=CC=C1)O

InChI

InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey

DYUQAZSOFZSPHD-UHFFFAOYSA-N

Compound name

1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 152
References: 25870
Patents: 136.08882 Da
Monoisotopic Mass: 1.9
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]+	137.096096	128.0
[M+Na]+	159.078038	134.8
[M-H]-	135.081544	130.3
[M+NH4]+	154.122643	149.1
[M+K]+	175.051978	133.0
[M+H-H2O]+	119.086080	122.9
[M+HCOO]-	181.087021	150.4
[M+CH3COO]-	195.102671	171.6
[M+Na-2H]-	157.063486	134.6
[M]+	136.08827142	126.9
[M]-	136.08936858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe