CID 102714

1922-67-4

Structural Information

Molecular Formula
C18H26O
SMILES
CC1COCC2=CC3=C(C=C12)C(CCC3(C)C)(C)C
InChI
InChI=1S/C18H26O/c1-12-10-19-11-13-8-15-16(9-14(12)13)18(4,5)7-6-17(15,2)3/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
HIEQGQHLWHRFOV-UHFFFAOYSA-N
Compound name
4,6,6,9,9-pentamethyl-3,4,7,8-tetrahydro-1H-benzo[g]isochromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
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 162.2
[M+Na]+ 281.18758 176.4
[M+NH4]+ 276.23218 175.8
[M+K]+ 297.16152 164.2
[M-H]- 257.19108 168.2
[M+Na-2H]- 279.17303 169.3
[M]+ 258.19781 166.6
[M]- 258.19891 166.6
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