CID 4154717

1,2,2-tris-(2,4,6-trimethyl-phenyl)-ethenol

Structural Information

Molecular Formula
C29H34O
SMILES
CC1=CC(=C(C(=C1)C)C(=C(C2=C(C=C(C=C2C)C)C)O)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C29H34O/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)29(30)27-23(8)14-18(3)15-24(27)9/h10-15,30H,1-9H3
InChIKey
TXCAHPBHBKXCAS-UHFFFAOYSA-N
Compound name
1,2,2-tris(2,4,6-trimethylphenyl)ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.26096 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26824 199.3
[M+Na]+ 421.25018 208.1
[M-H]- 397.25368 208.7
[M+NH4]+ 416.29478 211.1
[M+K]+ 437.22412 201.3
[M+H-H2O]+ 381.25822 190.7
[M+HCOO]- 443.25916 216.6
[M+CH3COO]- 457.27481 233.4
[M+Na-2H]- 419.23563 192.8
[M]+ 398.26041 202.1
[M]- 398.26151 202.1
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.