CID 102163924

5-[(2r)-2-hydroxytridecyl]benzene-1,3-diol

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCCCCCC[C@H](CC1=CC(=CC(=C1)O)O)O
InChI
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-10-11-17(20)12-16-13-18(21)15-19(22)14-16/h13-15,17,20-22H,2-12H2,1H3/t17-/m1/s1
InChIKey
YXRFSHKHPSTTQE-QGZVFWFLSA-N
Compound name
5-[(2R)-2-hydroxytridecyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 180.2
[M+Na]+ 331.22436 183.4
[M-H]- 307.22786 178.4
[M+NH4]+ 326.26896 193.3
[M+K]+ 347.19830 178.6
[M+H-H2O]+ 291.23240 173.4
[M+HCOO]- 353.23334 196.5
[M+CH3COO]- 367.24899 202.9
[M+Na-2H]- 329.20981 178.9
[M]+ 308.23459 182.5
[M]- 308.23569 182.5
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

No patent data available for this compound.