CID 736943

17553-86-5

Structural Information

Molecular Formula
C10H12O2
SMILES
C[C@]12CCC(=O)C=C1CCC2=O
InChI
InChI=1S/C10H12O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1
InChIKey
FNYAZSZTENLTRT-JTQLQIEISA-N
Compound name
(7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

164.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.8
[M+Na]+ 187.07294 141.5
[M-H]- 163.07644 137.5
[M+NH4]+ 182.11754 158.5
[M+K]+ 203.04688 139.1
[M+H-H2O]+ 147.08098 128.7
[M+HCOO]- 209.08192 154.2
[M+CH3COO]- 223.09757 176.9
[M+Na-2H]- 185.05839 138.1
[M]+ 164.08317 130.8
[M]- 164.08427 130.8
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.