CID 2798276

5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde

Structural Information

Molecular Formula
C12H14O3
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C=O
InChI
InChI=1S/C12H14O3/c1-12(2,3)10-4-8(6-13)11(15)9(5-10)7-14/h4-7,15H,1-3H3
InChIKey
WQNTWZJPCLUXQC-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

149
Patents

206.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 142.9
[M+Na]+ 229.08352 152.5
[M-H]- 205.08702 146.2
[M+NH4]+ 224.12812 162.2
[M+K]+ 245.05746 149.9
[M+H-H2O]+ 189.09156 138.2
[M+HCOO]- 251.09250 164.6
[M+CH3COO]- 265.10815 185.3
[M+Na-2H]- 227.06897 148.0
[M]+ 206.09375 145.7
[M]- 206.09485 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.