CID 137274

1988-88-1

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
InChI
InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3
InChIKey
AKXIIOLURNATOC-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

55
Patents

231.16231 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.2
[M+Na]+ 254.15153 165.5
[M+NH4]+ 249.19613 158.3
[M+K]+ 270.12547 157.4
[M-H]- 230.15503 147.9
[M+Na-2H]- 252.13698 156.9
[M]+ 231.16176 153.4
[M]- 231.16286 153.4
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