CID 92053

56187-92-9

Structural Information

Molecular Formula
C19H24O
SMILES
CC(C)(C)C1=C(C=CC(=C1)C(C)(C)C2=CC=CC=C2)O
InChI
InChI=1S/C19H24O/c1-18(2,3)16-13-15(11-12-17(16)20)19(4,5)14-9-7-6-8-10-14/h6-13,20H,1-5H3
InChIKey
UYHCLPYFSWPVDZ-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

268.1827 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18998 164.9
[M+Na]+ 291.17192 171.8
[M-H]- 267.17542 170.5
[M+NH4]+ 286.21652 181.2
[M+K]+ 307.14586 167.6
[M+H-H2O]+ 251.17996 158.6
[M+HCOO]- 313.18090 183.2
[M+CH3COO]- 327.19655 199.0
[M+Na-2H]- 289.15737 170.1
[M]+ 268.18215 165.2
[M]- 268.18325 165.2
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