CID 131752737

5-(10,13-nonadecadienyl)-1,3-benzenediol

Structural Information

Molecular Formula
C25H40O2
SMILES
CCCCC/C=C/C/C=C/CCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h6-7,9-10,20-22,26-27H,2-5,8,11-19H2,1H3/b7-6+,10-9+
InChIKey
QEMSHYYBCNAAQA-AVQMFFATSA-N
Compound name
5-[(10E,13E)-nonadeca-10,13-dienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.30283 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.31011 201.4
[M+Na]+ 395.29205 210.9
[M+NH4]+ 390.33665 206.5
[M+K]+ 411.26599 200.8
[M-H]- 371.29555 201.7
[M+Na-2H]- 393.27750 203.0
[M]+ 372.30228 202.6
[M]- 372.30338 202.6
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.