CID 3022309

93777-71-0

Structural Information

Molecular Formula

C₁₄H₁₈O₂

SMILES

CC1(CC(C2=C1C=C(C(=C2)O)C=O)(C)C)C

InChI

InChI=1S/C14H18O2/c1-13(2)8-14(3,4)11-6-12(16)9(7-15)5-10(11)13/h5-7,16H,8H2,1-4H3

InChIKey

OUSUWJXYCHHCFC-UHFFFAOYSA-N

Compound name

6-hydroxy-1,1,3,3-tetramethyl-2H-indene-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.13068 Da
Monoisotopic Mass: 4.2
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]+	219.137956	145.7
[M+Na]+	241.119898	156.9
[M-H]-	217.123404	150.2
[M+NH4]+	236.164503	171.5
[M+K]+	257.093838	153.1
[M+H-H2O]+	201.127940	142.5
[M+HCOO]-	263.128881	167.0
[M+CH3COO]-	277.144531	188.6
[M+Na-2H]-	239.105346	150.7
[M]+	218.13013142	148.2
[M]-	218.13122858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.