CID 170988672

3-[(2r)-2-hydroxyheptadecyl]-5-methoxyphenol

Structural Information

Molecular Formula
C24H42O3
SMILES
CCCCCCCCCCCCCCC[C@H](CC1=CC(=CC(=C1)OC)O)O
InChI
InChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)17-21-18-23(26)20-24(19-21)27-2/h18-20,22,25-26H,3-17H2,1-2H3/t22-/m1/s1
InChIKey
UBRAADIEZVEAJN-JOCHJYFZSA-N
Compound name
3-[(2R)-2-hydroxyheptadecyl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3134 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.32068 202.3
[M+Na]+ 401.30262 203.7
[M-H]- 377.30612 200.8
[M+NH4]+ 396.34722 213.2
[M+K]+ 417.27656 198.6
[M+H-H2O]+ 361.31066 194.2
[M+HCOO]- 423.31160 218.3
[M+CH3COO]- 437.32725 220.1
[M+Na-2H]- 399.28807 198.8
[M]+ 378.31285 208.3
[M]- 378.31395 208.3
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.