CID 18454722

46057-54-9

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC(C)C1=C(C=CC(=C1)C#N)O

InChI

InChI=1S/C10H11NO/c1-7(2)9-5-8(6-11)3-4-10(9)12/h3-5,7,12H,1-2H3

InChIKey

RHYWJKNWORGPOY-UHFFFAOYSA-N

Compound name

4-hydroxy-3-propan-2-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 161.08406 Da
Monoisotopic Mass: 2.3
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]+	162.09134	134.3
[M+Na]+	184.07328	146.5
[M+NH4]+	179.11788	139.4
[M+K]+	200.04722	137.6
[M-H]-	160.07678	129.0
[M+Na-2H]-	182.05873	138.2
[M]+	161.08351	133.7
[M]-	161.08461	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe