CID 44149734

94713-17-4

Structural Information

Molecular Formula
C19H28O
SMILES
CC1CC(C2=C(C1(C)C)C=C(C3=C2COCC3)C)(C)C
InChI
InChI=1S/C19H28O/c1-12-9-16-17(15-11-20-8-7-14(12)15)18(3,4)10-13(2)19(16,5)6/h9,13H,7-8,10-11H2,1-6H3
InChIKey
DNHDTRSUILNHHX-UHFFFAOYSA-N
Compound name
5,7,7,8,10,10-hexamethyl-3,4,8,9-tetrahydro-1H-benzo[h]isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.221296 164.2
[M+Na]+ 295.203238 172.8
[M-H]- 271.206744 170.2
[M+NH4]+ 290.247843 186.3
[M+K]+ 311.177178 169.8
[M+H-H2O]+ 255.211280 157.9
[M+HCOO]- 317.212221 178.3
[M+CH3COO]- 331.227871 205.0
[M+Na-2H]- 293.188686 168.7
[M]+ 272.21347142 163.8
[M]- 272.21456858 163.8
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

No patent data available for this compound.