CID 11116362

2,3,5,6-tetramethylbenzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

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

InChI

InChI=1S/C11H14O/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5-6H,1-4H3

InChIKey

RCPYGAYAQAHJMN-UHFFFAOYSA-N

Compound name

2,3,5,6-tetramethylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 162.10446 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]+	163.11174	133.9
[M+Na]+	185.09368	148.7
[M+NH4]+	180.13828	143.1
[M+K]+	201.06762	141.4
[M-H]-	161.09718	136.8
[M+Na-2H]-	183.07913	140.9
[M]+	162.10391	137.0
[M]-	162.10501	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe