CID 85471347

Resorcinol compound 2

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

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

InChI

InChI=1S/C10H14O2/c1-6(2)10-7(3)4-8(11)5-9(10)12/h4-6,11-12H,1-3H3

InChIKey

FBSIDCYWGKQYRW-UHFFFAOYSA-N

Compound name

5-methyl-4-propan-2-ylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 166.09938 Da
Monoisotopic Mass: 2.7
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]+	167.106656	134.5
[M+Na]+	189.088598	143.2
[M-H]-	165.092104	136.3
[M+NH4]+	184.133203	154.6
[M+K]+	205.062538	140.9
[M+H-H2O]+	149.096640	129.9
[M+HCOO]-	211.097581	155.2
[M+CH3COO]-	225.113231	177.5
[M+Na-2H]-	187.074046	137.9
[M]+	166.09883142	134.4
[M]-	166.09992858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe