CID 13751966

3-((8z,11z)-pentadeca-8,11,14-trien-1-yl)catechol

Structural Information

Molecular Formula
C21H30O2
SMILES
C=CC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h2,4-5,7-8,15,17-18,22-23H,1,3,6,9-14,16H2/b5-4-,8-7-
InChIKey
RUWDFSXBACIZCV-UTOQUPLUSA-N
Compound name
3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.22458 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 181.3
[M+Na]+ 337.213798 185.5
[M-H]- 313.217304 180.6
[M+NH4]+ 332.258403 194.9
[M+K]+ 353.187738 178.1
[M+H-H2O]+ 297.221840 174.3
[M+HCOO]- 359.222781 199.8
[M+CH3COO]- 373.238431 204.9
[M+Na-2H]- 335.199246 180.7
[M]+ 314.22403142 183.1
[M]- 314.22512858 183.1
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.