CID 9903278

Schembl13880188

Structural Information

Molecular Formula
C18H26O
SMILES
CC1COCC2=C1C=CC3=C2C(C(C3(C)C)C)(C)C
InChI
InChI=1S/C18H26O/c1-11-9-19-10-14-13(11)7-8-15-16(14)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKey
AKNNEYHEHIBFRA-UHFFFAOYSA-N
Compound name
4,7,7,8,9,9-hexamethyl-1,3,4,8-tetrahydrocyclopenta[h]isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 159.6
[M+Na]+ 281.18758 169.8
[M-H]- 257.19108 166.2
[M+NH4]+ 276.23218 184.4
[M+K]+ 297.16152 166.4
[M+H-H2O]+ 241.19562 155.0
[M+HCOO]- 303.19656 176.5
[M+CH3COO]- 317.21221 172.9
[M+Na-2H]- 279.17303 163.3
[M]+ 258.19781 161.2
[M]- 258.19891 161.2
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

patents stripe