CID 6445485

3-buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-

Structural Information

Molecular Formula
C18H26O2
SMILES
CC(=O)/C=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H26O2/c1-12(19)8-9-13-10-14(17(2,3)4)16(20)15(11-13)18(5,6)7/h8-11,20H,1-7H3/b9-8+
InChIKey
TWDPBGDKUCRDCL-CMDGGOBGSA-N
Compound name
(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

274.19327 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.200546 165.3
[M+Na]+ 297.182488 172.7
[M-H]- 273.185994 168.0
[M+NH4]+ 292.227093 182.1
[M+K]+ 313.156428 169.4
[M+H-H2O]+ 257.190530 160.7
[M+HCOO]- 319.191471 182.2
[M+CH3COO]- 333.207121 201.3
[M+Na-2H]- 295.167936 167.1
[M]+ 274.19272142 167.6
[M]- 274.19381858 167.6
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

patents stripe