CID 131752738

5-(12-heneicosenyl)resorcinol

Structural Information

Molecular Formula
C27H46O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC1=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/h9-10,22-24,28-29H,2-8,11-21H2,1H3/b10-9-
InChIKey
IUDPZEISCKIKPI-KTKRTIGZSA-N
Compound name
5-[(Z)-henicos-12-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
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]+ 403.357076 210.3
[M+Na]+ 425.339018 211.2
[M-H]- 401.342524 208.2
[M+NH4]+ 420.383623 220.3
[M+K]+ 441.312958 203.6
[M+H-H2O]+ 385.347060 201.9
[M+HCOO]- 447.348001 226.3
[M+CH3COO]- 461.363651 224.9
[M+Na-2H]- 423.324466 206.5
[M]+ 402.34925142 215.8
[M]- 402.35034858 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.