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]+ 259.205636 159.6
[M+Na]+ 281.187578 169.8
[M-H]- 257.191084 166.2
[M+NH4]+ 276.232183 184.4
[M+K]+ 297.161518 166.4
[M+H-H2O]+ 241.195620 155.0
[M+HCOO]- 303.196561 176.5
[M+CH3COO]- 317.212211 172.9
[M+Na-2H]- 279.173026 163.3
[M]+ 258.19781142 161.2
[M]- 258.19890858 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