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

18
Patents

258.19836 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 160.6
[M+Na]+ 281.187578 168.8
[M-H]- 257.191084 166.4
[M+NH4]+ 276.232183 183.0
[M+K]+ 297.161518 166.0
[M+H-H2O]+ 241.195620 154.2
[M+HCOO]- 303.196561 175.2
[M+CH3COO]- 317.212211 172.6
[M+Na-2H]- 279.173026 166.3
[M]+ 258.19781142 159.5
[M]- 258.19890858 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