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
4
Annotation Hits

0
References

12842
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 231.0
[M+Na]+ 503.38595 233.6
[M-H]- 479.38945 232.9
[M+NH4]+ 498.43055 238.3
[M+K]+ 519.35989 225.1
[M+H-H2O]+ 463.39399 221.2
[M+HCOO]- 525.39493 245.9
[M+CH3COO]- 539.41058 244.3
[M+Na-2H]- 501.37140 223.6
[M]+ 480.39618 238.1
[M]- 480.39728 238.1
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