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]+ 309.242416 180.2
[M+Na]+ 331.224358 183.4
[M-H]- 307.227864 178.4
[M+NH4]+ 326.268963 193.3
[M+K]+ 347.198298 178.6
[M+H-H2O]+ 291.232400 173.4
[M+HCOO]- 353.233341 196.5
[M+CH3COO]- 367.248991 202.9
[M+Na-2H]- 329.209806 178.9
[M]+ 308.23459142 182.5
[M]- 308.23568858 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.