CID 1241629

484-66-2

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

CC1=C(C(=C(C(=C1C)C)CO)C)C

InChI

InChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3

InChIKey

CMBCAWNOBIGGTE-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentamethylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 437
Patents: 178.13577 Da
Monoisotopic Mass: 2.9
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]+	179.143046	137.5
[M+Na]+	201.124988	148.0
[M-H]-	177.128494	141.2
[M+NH4]+	196.169593	158.7
[M+K]+	217.098928	145.2
[M+H-H2O]+	161.133030	133.1
[M+HCOO]-	223.133971	159.8
[M+CH3COO]-	237.149621	185.7
[M+Na-2H]-	199.110436	140.4
[M]+	178.13522142	140.1
[M]-	178.13631858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe