CID 10997183

144825-18-3

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CC#N)CO

InChI

InChI=1S/C9H9NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5,7H2

InChIKey

VLWFTSRLCNJFAE-UHFFFAOYSA-N

Compound name

2-[4-(hydroxymethyl)phenyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 147.06842 Da
Monoisotopic Mass: 0.9
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]+	148.07570	131.5
[M+Na]+	170.05764	143.9
[M+NH4]+	165.10224	136.9
[M+K]+	186.03158	134.3
[M-H]-	146.06114	126.4
[M+Na-2H]-	168.04309	136.1
[M]+	147.06787	131.0
[M]-	147.06897	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe