CID 85398

7-methylindan-4-ol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1=C2CCCC2=C(C=C1)O

InChI

InChI=1S/C10H12O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6,11H,2-4H2,1H3

InChIKey

XHMLXYGITDAGDN-UHFFFAOYSA-N

Compound name

7-methyl-2,3-dihydro-1H-inden-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 148.08882 Da
Monoisotopic Mass: 2.8
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]+	149.09610	129.5
[M+Na]+	171.07804	138.4
[M-H]-	147.08154	133.1
[M+NH4]+	166.12264	153.5
[M+K]+	187.05198	135.3
[M+H-H2O]+	131.08608	125.0
[M+HCOO]-	193.08702	151.7
[M+CH3COO]-	207.10267	173.7
[M+Na-2H]-	169.06349	135.1
[M]+	148.08827	128.2
[M]-	148.08937	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe