CID 6476639

2-phytylphenol

Structural Information

Molecular Formula
C26H44O
SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C/CC1=CC=CC=C1O)/C)CCCC(C)C
InChI
InChI=1S/C26H44O/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-25-17-6-7-18-26(25)27/h6-7,17-19,21-23,27H,8-16,20H2,1-5H3/b24-19+/t22-,23-/m1/s1
InChIKey
URVAEDNSVKVBOV-OLOZJIBXSA-N
Compound name
2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.3392 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.34648 204.8
[M+Na]+ 395.32842 204.8
[M-H]- 371.33192 204.4
[M+NH4]+ 390.37302 216.3
[M+K]+ 411.30236 199.7
[M+H-H2O]+ 355.33646 196.9
[M+HCOO]- 417.33740 218.5
[M+CH3COO]- 431.35305 224.6
[M+Na-2H]- 393.31387 197.6
[M]+ 372.33865 207.5
[M]- 372.33975 207.5
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

No patent data available for this compound.