CID 4610772

1a,7a-dimethyl-1a,7a-dihydro-1h-cyclopropa(b)naphthalene-2,7-dione

Structural Information

Molecular Formula
C13H12O2
SMILES
CC12CC1(C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C13H12O2/c1-12-7-13(12,2)11(15)9-6-4-3-5-8(9)10(12)14/h3-6H,7H2,1-2H3
InChIKey
LIBAWDOMKHCHSJ-UHFFFAOYSA-N
Compound name
1a,7a-dimethyl-1H-cyclopropa[b]naphthalene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 145.5
[M+Na]+ 223.072938 158.2
[M-H]- 199.076444 152.6
[M+NH4]+ 218.117543 166.2
[M+K]+ 239.046878 155.2
[M+H-H2O]+ 183.080980 140.8
[M+HCOO]- 245.081921 165.3
[M+CH3COO]- 259.097571 189.8
[M+Na-2H]- 221.058386 154.2
[M]+ 200.08317142 149.9
[M]- 200.08426858 149.9
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.