CID 3802402

7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1(C2CCC1C(=O)C2=O)C
InChI
InChI=1S/C9H12O2/c1-9(2)5-3-4-6(9)8(11)7(5)10/h5-6H,3-4H2,1-2H3
InChIKey
KXJVWNBVRRZEHH-UHFFFAOYSA-N
Compound name
7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

152.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 130.6
[M+Na]+ 175.072938 140.9
[M-H]- 151.076444 134.4
[M+NH4]+ 170.117543 159.5
[M+K]+ 191.046878 138.7
[M+H-H2O]+ 135.080980 128.2
[M+HCOO]- 197.081921 152.7
[M+CH3COO]- 211.097571 176.8
[M+Na-2H]- 173.058386 134.7
[M]+ 152.08317142 131.3
[M]- 152.08426858 131.3
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

patents stripe