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

528
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

literature stripe

Patent stripe

patents stripe