CID 82266190

4-hydroxy-2,3,6-trimethylbenzonitrile

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=CC(=C(C(=C1C#N)C)C)O

InChI

InChI=1S/C10H11NO/c1-6-4-10(12)8(3)7(2)9(6)5-11/h4,12H,1-3H3

InChIKey

FCRMBUMMEROWJN-UHFFFAOYSA-N

Compound name

4-hydroxy-2,3,6-trimethylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.08406 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]+	162.09134	131.9
[M+Na]+	184.07328	145.1
[M+NH4]+	179.11788	137.1
[M+K]+	200.04722	136.0
[M-H]-	160.07678	126.9
[M+Na-2H]-	182.05873	135.9
[M]+	161.08351	131.6
[M]-	161.08461	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe