CID 9905016

Rosmaridiphenol

Structural Information

Molecular Formula
C20H28O3
SMILES
CC(C)C1=C(C(=C2C(=C1)CCC3C(C2=O)CCCC3(C)C)O)O
InChI
InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3
InChIKey
WIEOUDNBMYRSRD-UHFFFAOYSA-N
Compound name
14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

397
Patents

316.20386 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 172.5
[M+Na]+ 339.19308 178.0
[M-H]- 315.19658 176.2
[M+NH4]+ 334.23768 189.5
[M+K]+ 355.16702 177.5
[M+H-H2O]+ 299.20112 168.6
[M+HCOO]- 361.20206 183.6
[M+CH3COO]- 375.21771 209.2
[M+Na-2H]- 337.17853 172.4
[M]+ 316.20331 167.2
[M]- 316.20441 167.2
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.