CID 688023

3,5-di-tert-butyl-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=O
InChI
InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
InChIKey
RRIQVLZDOZPJTH-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

2269
Patents

234.16199 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 154.1
[M+Na]+ 257.15121 162.6
[M-H]- 233.15471 157.2
[M+NH4]+ 252.19581 172.6
[M+K]+ 273.12515 160.0
[M+H-H2O]+ 217.15925 149.7
[M+HCOO]- 279.16019 172.7
[M+CH3COO]- 293.17584 193.0
[M+Na-2H]- 255.13666 158.5
[M]+ 234.16144 156.6
[M]- 234.16254 156.6
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