CID 204762

16825-45-9

Structural Information

Molecular Formula
C21H36O3
SMILES
CCCCCCCCCCCCCCC(C1=C(C(=CC=C1)O)O)O
InChI
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)18-15-14-17-20(23)21(18)24/h14-15,17,19,22-24H,2-13,16H2,1H3
InChIKey
MFWYWXSFQFKJCL-UHFFFAOYSA-N
Compound name
3-(1-hydroxypentadecyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.26645 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.27373 188.5
[M+Na]+ 359.25567 197.3
[M+NH4]+ 354.30027 193.7
[M+K]+ 375.22961 190.0
[M-H]- 335.25917 188.2
[M+Na-2H]- 357.24112 190.0
[M]+ 336.26590 189.4
[M]- 336.26700 189.4
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