CID 12053

2-phenyl-2-propanol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

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

InChI

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

InChIKey

BDCFWIDZNLCTMF-UHFFFAOYSA-N

Compound name

2-phenylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 47
References: 15137
Patents: 136.08882 Da
Monoisotopic Mass: 1.8
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]+	137.096096	127.6
[M+Na]+	159.078038	135.1
[M-H]-	135.081544	130.1
[M+NH4]+	154.122643	148.9
[M+K]+	175.051978	133.3
[M+H-H2O]+	119.086080	123.0
[M+HCOO]-	181.087021	149.4
[M+CH3COO]-	195.102671	171.0
[M+Na-2H]-	157.063486	136.1
[M]+	136.08827142	126.6
[M]-	136.08936858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe