CID 131752736

5-(10-nonadecenyl)resorcinol

Structural Information

Molecular Formula
C25H42O2
SMILES
CCCCCCCC/C=C/CCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C25H42O2/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/h9-10,20-22,26-27H,2-8,11-19H2,1H3/b10-9+
InChIKey
KQGVEZGOGSMUMX-MDZDMXLPSA-N
Compound name
5-[(E)-nonadec-10-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.31848 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.325756 201.6
[M+Na]+ 397.307698 203.4
[M-H]- 373.311204 200.0
[M+NH4]+ 392.352303 212.8
[M+K]+ 413.281638 196.2
[M+H-H2O]+ 357.315740 193.6
[M+HCOO]- 419.316681 218.4
[M+CH3COO]- 433.332331 219.0
[M+Na-2H]- 395.293146 198.9
[M]+ 374.31793142 206.4
[M]- 374.31902858 206.4
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.