CID 3085663

Phenol, 2,4(or 2,6)-di-sec-pentyl-

Structural Information

Molecular Formula
C16H26O
SMILES
CC[C@@H](C)CC1=CC(=C(C=C1)O)C[C@H](C)CC
InChI
InChI=1S/C16H26O/c1-5-12(3)9-14-7-8-16(17)15(11-14)10-13(4)6-2/h7-8,11-13,17H,5-6,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKey
BJTHFTODFZWOAG-CHWSQXEVSA-N
Compound name
2,4-bis[(2R)-2-methylbutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 159.3
[M+Na]+ 257.187578 164.7
[M-H]- 233.191084 161.1
[M+NH4]+ 252.232183 177.0
[M+K]+ 273.161518 161.7
[M+H-H2O]+ 217.195620 153.3
[M+HCOO]- 279.196561 178.2
[M+CH3COO]- 293.212211 195.9
[M+Na-2H]- 255.173026 159.3
[M]+ 234.19781142 160.8
[M]- 234.19890858 160.8
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.