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

12
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 160.6
[M+Na]+ 281.18758 168.8
[M-H]- 257.19108 166.4
[M+NH4]+ 276.23218 183.0
[M+K]+ 297.16152 166.0
[M+H-H2O]+ 241.19562 154.2
[M+HCOO]- 303.19656 175.2
[M+CH3COO]- 317.21221 172.6
[M+Na-2H]- 279.17303 166.3
[M]+ 258.19781 159.5
[M]- 258.19891 159.5
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