CID 14097

1075-30-5

Structural Information

Molecular Formula
C10H10O
SMILES
CC(=O)C1CC2=CC=CC=C12
InChI
InChI=1S/C10H10O/c1-7(11)10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3
InChIKey
HRBWEKNHUNICAM-UHFFFAOYSA-N
Compound name
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.07317 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 126.2
[M+Na]+ 169.06239 135.1
[M+NH4]+ 164.10699 132.1
[M+K]+ 185.03633 130.5
[M-H]- 145.06589 126.1
[M+Na-2H]- 167.04784 130.6
[M]+ 146.07262 126.3
[M]- 146.07372 126.3
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