CID 15310272

Tricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-13-one

Structural Information

Molecular Formula
C13H14O
SMILES
C1CC2CC3=CC=CC=C3C(C1)C2=O
InChI
InChI=1S/C13H14O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4,6,10,12H,3,5,7-8H2
InChIKey
AMPAXPTYKRITIV-UHFFFAOYSA-N
Compound name
tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 137.3
[M+Na]+ 209.09368 144.0
[M-H]- 185.09718 140.6
[M+NH4]+ 204.13828 159.7
[M+K]+ 225.06762 140.2
[M+H-H2O]+ 169.10172 131.3
[M+HCOO]- 231.10266 154.6
[M+CH3COO]- 245.11831 149.8
[M+Na-2H]- 207.07913 145.3
[M]+ 186.10391 133.6
[M]- 186.10501 133.6
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