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

1
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

patents stripe