CID 24582

Naugawhite

Structural Information

Molecular Formula
C33H52O2
SMILES
CCCCCCCCCC1=C(C(=CC(=C1)C)CC2=CC(=CC(=C2O)CCCCCCCCC)C)O
InChI
InChI=1S/C33H52O2/c1-5-7-9-11-13-15-17-19-28-21-26(3)23-30(32(28)34)25-31-24-27(4)22-29(33(31)35)20-18-16-14-12-10-8-6-2/h21-24,34-35H,5-20,25H2,1-4H3
InChIKey
XQESJWNDTICJHW-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-5-methyl-3-nonylphenyl)methyl]-4-methyl-6-nonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12786
Patents

480.39673 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.40401 233.3
[M+Na]+ 503.38595 245.5
[M+NH4]+ 498.43055 238.8
[M+K]+ 519.35989 234.0
[M-H]- 479.38945 237.0
[M+Na-2H]- 501.37140 236.4
[M]+ 480.39618 236.2
[M]- 480.39728 236.2
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