CID 10220788

78448-49-4

Structural Information

Molecular Formula
C18H26O
SMILES
CCC1(CC(C2=C1C=C3COCC(C3=C2)C)(C)C)C
InChI
InChI=1S/C18H26O/c1-6-18(5)11-17(3,4)15-8-14-12(2)9-19-10-13(14)7-16(15)18/h7-8,12H,6,9-11H2,1-5H3
InChIKey
BYAUGQHXQRQQPB-UHFFFAOYSA-N
Compound name
8-ethyl-4,6,6,8-tetramethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

258.19836 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 160.9
[M+Na]+ 281.18758 170.1
[M-H]- 257.19108 167.1
[M+NH4]+ 276.23218 185.3
[M+K]+ 297.16152 166.7
[M+H-H2O]+ 241.19562 155.9
[M+HCOO]- 303.19656 177.8
[M+CH3COO]- 317.21221 173.7
[M+Na-2H]- 279.17303 165.1
[M]+ 258.19781 162.0
[M]- 258.19891 162.0
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

patents stripe