CID 4356718

7,7a-dihydro-1h-cyclobuta[a]inden-2(2ah)-one

Structural Information

Molecular Formula
C11H10O
SMILES
C1C2CC(=O)C2C3=CC=CC=C31
InChI
InChI=1S/C11H10O/c12-10-6-8-5-7-3-1-2-4-9(7)11(8)10/h1-4,8,11H,5-6H2
InChIKey
OJTQKVOONVRYHJ-UHFFFAOYSA-N
Compound name
1,2a,7,7a-tetrahydrocyclobuta[a]inden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

158.07317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 125.3
[M+Na]+ 181.06239 133.9
[M-H]- 157.06589 131.3
[M+NH4]+ 176.10699 144.1
[M+K]+ 197.03633 133.6
[M+H-H2O]+ 141.07043 116.3
[M+HCOO]- 203.07137 147.1
[M+CH3COO]- 217.08702 181.9
[M+Na-2H]- 179.04784 132.3
[M]+ 158.07262 134.1
[M]- 158.07372 134.1
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