CID 3276129

5-isopropyl-4-methoxy-2-methylbenzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

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

InChI

InChI=1S/C12H16O2/c1-8(2)11-6-10(7-13)9(3)5-12(11)14-4/h5-8H,1-4H3

InChIKey

UREBGRBNUQCTAF-UHFFFAOYSA-N

Compound name

4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 192.11504 Da
Monoisotopic Mass: 2.8
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]+	193.122316	140.3
[M+Na]+	215.104258	149.4
[M-H]-	191.107764	144.7
[M+NH4]+	210.148863	160.8
[M+K]+	231.078198	147.8
[M+H-H2O]+	175.112300	135.0
[M+HCOO]-	237.113241	163.7
[M+CH3COO]-	251.128891	187.9
[M+Na-2H]-	213.089706	143.9
[M]+	192.11449142	144.2
[M]-	192.11558858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe