CID 13765272

4-tert-butyl-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C)(C)C1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3
InChIKey
UYRSLWPKZKASRB-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

178.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.5
[M+Na]+ 201.08860 146.3
[M-H]- 177.09210 140.5
[M+NH4]+ 196.13320 157.7
[M+K]+ 217.06254 144.0
[M+H-H2O]+ 161.09664 132.9
[M+HCOO]- 223.09758 159.1
[M+CH3COO]- 237.11323 179.8
[M+Na-2H]- 199.07405 143.6
[M]+ 178.09883 138.7
[M]- 178.09993 138.7
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.