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 200.4
[M+Na]+ 395.29205 202.6
[M-H]- 371.29555 198.8
[M+NH4]+ 390.33665 211.7
[M+K]+ 411.26599 194.8
[M+H-H2O]+ 355.30009 192.5
[M+HCOO]- 417.30103 217.4
[M+CH3COO]- 431.31668 217.6
[M+Na-2H]- 393.27750 197.7
[M]+ 372.30228 204.4
[M]- 372.30338 204.4
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

No patent data available for this compound.