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

58
Patents

162.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 131.0
[M+Na]+ 185.09368 141.7
[M-H]- 161.09718 135.9
[M+NH4]+ 180.13828 153.1
[M+K]+ 201.06762 139.5
[M+H-H2O]+ 145.10172 126.3
[M+HCOO]- 207.10266 155.4
[M+CH3COO]- 221.11831 183.2
[M+Na-2H]- 183.07913 135.8
[M]+ 162.10391 134.1
[M]- 162.10501 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe