CID 4610772

36225-17-9

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]+ 201.09100 145.5
[M+Na]+ 223.07294 158.2
[M-H]- 199.07644 152.6
[M+NH4]+ 218.11754 166.2
[M+K]+ 239.04688 155.2
[M+H-H2O]+ 183.08098 140.8
[M+HCOO]- 245.08192 165.3
[M+CH3COO]- 259.09757 189.8
[M+Na-2H]- 221.05839 154.2
[M]+ 200.08317 149.9
[M]- 200.08427 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.