CID 21883724

2-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)(CO)C1=CC(=C(C=C1)C=O)O

InChI

InChI=1S/C11H14O3/c1-11(2,7-13)9-4-3-8(6-12)10(14)5-9/h3-6,13-14H,7H2,1-2H3

InChIKey

KJYQJIMGVVHWNK-UHFFFAOYSA-N

Compound name

2-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 194.0943 Da
Monoisotopic Mass: 2.0
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	141.5
[M+Na]+	217.083518	149.7
[M-H]-	193.087024	142.9
[M+NH4]+	212.128123	160.1
[M+K]+	233.057458	147.0
[M+H-H2O]+	177.091560	136.8
[M+HCOO]-	239.092501	161.7
[M+CH3COO]-	253.108151	180.0
[M+Na-2H]-	215.068966	147.1
[M]+	194.09375142	142.3
[M]-	194.09484858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe