CID 101540825

5-(14-nonadecenyl)-1,3-benzenediol

Structural Information

Molecular Formula
C25H42O2
SMILES
CCCC/C=C/CCCCCCCCCCCCCC1=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/h5-6,20-22,26-27H,2-4,7-19H2,1H3/b6-5+
InChIKey
KEAYVGHLOUCYNN-AATRIKPKSA-N
Compound name
5-[(E)-nonadec-14-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]+ 375.32576 201.6
[M+Na]+ 397.30770 203.4
[M-H]- 373.31120 200.0
[M+NH4]+ 392.35230 212.8
[M+K]+ 413.28164 196.2
[M+H-H2O]+ 357.31574 193.6
[M+HCOO]- 419.31668 218.4
[M+CH3COO]- 433.33233 219.0
[M+Na-2H]- 395.29315 198.9
[M]+ 374.31793 206.4
[M]- 374.31903 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.