CID 137776

2958-72-7

Structural Information

Molecular Formula
C11H10O2
SMILES
C1C2C3C4C1C5C2C(=O)C3C4C5=O
InChI
InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2
InChIKey
WTUFOKOJVXNYTJ-UHFFFAOYSA-N
Compound name
pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

174.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 138.3
[M+Na]+ 197.057298 146.1
[M-H]- 173.060804 143.1
[M+NH4]+ 192.101903 164.1
[M+K]+ 213.031238 145.5
[M+H-H2O]+ 157.065340 134.5
[M+HCOO]- 219.066281 155.5
[M+CH3COO]- 233.081931 151.9
[M+Na-2H]- 195.042746 139.0
[M]+ 174.06753142 151.2
[M]- 174.06862858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe