CID 263043

71745-63-6

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

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

InChI

InChI=1S/C12H18O/c1-5-12(3,4)10-6-7-11(13)9(2)8-10/h6-8,13H,5H2,1-4H3

InChIKey

BTNRRXSBIPTRIQ-UHFFFAOYSA-N

Compound name

2-methyl-4-(2-methylbutan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 178.13577 Da
Monoisotopic Mass: 4.1
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]+	179.14305	140.0
[M+Na]+	201.12499	148.1
[M-H]-	177.12849	142.8
[M+NH4]+	196.16959	160.3
[M+K]+	217.09893	145.6
[M+H-H2O]+	161.13303	135.3
[M+HCOO]-	223.13397	160.8
[M+CH3COO]-	237.14962	182.4
[M+Na-2H]-	199.11044	145.5
[M]+	178.13522	140.9
[M]-	178.13632	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe