CID 10171264

2-hydroxy-3-isopropylbenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

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

InChI

InChI=1S/C10H12O2/c1-7(2)9-5-3-4-8(6-11)10(9)12/h3-7,12H,1-2H3

InChIKey

ORJQGHNTYRXBJF-UHFFFAOYSA-N

Compound name

2-hydroxy-3-propan-2-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 164.08372 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]+	165.09100	132.9
[M+Na]+	187.07294	141.4
[M-H]-	163.07644	135.8
[M+NH4]+	182.11754	153.4
[M+K]+	203.04688	139.4
[M+H-H2O]+	147.08098	127.9
[M+HCOO]-	209.08192	155.4
[M+CH3COO]-	223.09757	178.0
[M+Na-2H]-	185.05839	137.6
[M]+	164.08317	133.7
[M]-	164.08427	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe