CID 9842235

(r)-3,4-dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2h-1-benzopyran-6-ol

Structural Information

Molecular Formula
C25H36O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC1CCC2=C(O1)C=CC(=C2)O)/C)/C)C
InChI
InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+
InChIKey
WSTGHGHPTQPFAP-YARIIHNNSA-N
Compound name
2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-chromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

368.27155 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 197.5
[M+Na]+ 391.26077 207.1
[M+NH4]+ 386.30537 203.5
[M+K]+ 407.23471 199.3
[M-H]- 367.26427 199.7
[M+Na-2H]- 389.24622 198.0
[M]+ 368.27100 199.3
[M]- 368.27210 199.3
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