CID 139597774

Ns00042752

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1(CCCC2(C1CCC3(C2OCC(=O)C3)C)C)C
InChI
InChI=1S/C17H28O2/c1-15(2)7-5-8-17(4)13(15)6-9-16(3)10-12(18)11-19-14(16)17/h13-14H,5-11H2,1-4H3
InChIKey
WYVSRZOZEFTSIK-UHFFFAOYSA-N
Compound name
4a,7,7,10a-tetramethyl-4,5,6,6a,8,9,10,10b-octahydrobenzo[h]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 162.0
[M+Na]+ 287.198138 167.8
[M-H]- 263.201644 166.6
[M+NH4]+ 282.242743 185.3
[M+K]+ 303.172078 165.9
[M+H-H2O]+ 247.206180 155.9
[M+HCOO]- 309.207121 172.7
[M+CH3COO]- 323.222771 199.0
[M+Na-2H]- 285.183586 167.0
[M]+ 264.20837142 157.0
[M]- 264.20946858 157.0
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.