CID 107051

Di-(tert-butyl)dodecylphenol

Structural Information

Molecular Formula
C26H46O
SMILES
CCCCC(CCCCC(CCC1=CC(=CC=C1)O)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C26H46O/c1-8-9-14-22(25(2,3)4)15-10-11-16-23(26(5,6)7)19-18-21-13-12-17-24(27)20-21/h12-13,17,20,22-23,27H,8-11,14-16,18-19H2,1-7H3
InChIKey
KGXLFVVHLZMIDM-UHFFFAOYSA-N
Compound name
3-(3,8-ditert-butyldodecyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.35486 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.36214 203.4
[M+Na]+ 397.34408 204.6
[M-H]- 373.34758 203.6
[M+NH4]+ 392.38868 215.5
[M+K]+ 413.31802 200.3
[M+H-H2O]+ 357.35212 196.7
[M+HCOO]- 419.35306 215.9
[M+CH3COO]- 433.36871 224.0
[M+Na-2H]- 395.32953 200.7
[M]+ 374.35431 207.1
[M]- 374.35541 207.1
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

patents stripe