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

192
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 138.8
[M+Na]+ 201.08860 151.5
[M+NH4]+ 196.13320 146.8
[M+K]+ 217.06254 145.8
[M-H]- 177.09210 139.9
[M+Na-2H]- 199.07405 145.0
[M]+ 178.09883 141.0
[M]- 178.09993 141.0
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

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