CID 57557775

192803-37-5

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C=O)O

InChI

InChI=1S/C11H14O3/c1-11(2,3)9-5-8(13)4-7(6-12)10(9)14/h4-6,13-14H,1-3H3

InChIKey

TZZLDYZCZGLIJA-UHFFFAOYSA-N

Compound name

3-tert-butyl-2,5-dihydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 194.0943 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]+	195.101576	140.8
[M+Na]+	217.083518	150.0
[M-H]-	193.087024	142.8
[M+NH4]+	212.128123	159.9
[M+K]+	233.057458	147.4
[M+H-H2O]+	177.091560	136.5
[M+HCOO]-	239.092501	161.0
[M+CH3COO]-	253.108151	180.6
[M+Na-2H]-	215.068966	145.8
[M]+	194.09375142	142.0
[M]-	194.09484858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe