CID 6446932

Bhilawanol b

Structural Information

Molecular Formula
C21H32O2
SMILES
CCCC/C=C/C/C=C/CCCCCCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h5-6,8-9,15,17-18,22-23H,2-4,7,10-14,16H2,1H3/b6-5+,9-8+
InChIKey
ADQRHHAWQDNVQI-HHWLVVFRSA-N
Compound name
3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 182.8
[M+Na]+ 339.22945 186.7
[M-H]- 315.23295 182.1
[M+NH4]+ 334.27405 196.4
[M+K]+ 355.20339 179.9
[M+H-H2O]+ 299.23749 175.7
[M+HCOO]- 361.23843 201.1
[M+CH3COO]- 375.25408 205.6
[M+Na-2H]- 337.21490 182.2
[M]+ 316.23968 185.4
[M]- 316.24078 185.4
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.