CID 126457712

5-((z)-henicos-8-en-1-yl)resorcinol

Structural Information

Molecular Formula
C27H46O2
SMILES
CCCCCCCCCCCC/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h13-14,22-24,28-29H,2-12,15-21H2,1H3/b14-13-
InChIKey
HODPEVWNOVKINH-YPKPFQOOSA-N
Compound name
5-[(Z)-henicos-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.3498 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.35708 210.3
[M+Na]+ 425.33902 211.2
[M-H]- 401.34252 208.2
[M+NH4]+ 420.38362 220.3
[M+K]+ 441.31296 203.6
[M+H-H2O]+ 385.34706 201.9
[M+HCOO]- 447.34800 226.3
[M+CH3COO]- 461.36365 224.9
[M+Na-2H]- 423.32447 206.5
[M]+ 402.34925 215.8
[M]- 402.35035 215.8
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.