CID 98246

1,4-methano-1h-cyclopenta(c)furan-3(3ah)-one, tetrahydro-2-methyl-, exo-

Structural Information

Molecular Formula
C9H12O2
SMILES
CC12C3CCC1C(C3)OC2=O
InChI
InChI=1S/C9H12O2/c1-9-5-2-3-6(9)7(4-5)11-8(9)10/h5-7H,2-4H2,1H3
InChIKey
HGUNJLUBYIIFBJ-UHFFFAOYSA-N
Compound name
6-methyl-4-oxatricyclo[4.3.0.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 131.4
[M+Na]+ 175.072938 140.5
[M-H]- 151.076444 136.7
[M+NH4]+ 170.117543 160.9
[M+K]+ 191.046878 139.5
[M+H-H2O]+ 135.080980 129.2
[M+HCOO]- 197.081921 152.2
[M+CH3COO]- 211.097571 146.5
[M+Na-2H]- 173.058386 135.5
[M]+ 152.08317142 132.3
[M]- 152.08426858 132.3
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