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

184
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

literature stripe

Patent stripe

patents stripe