CID 94017

58313-69-2

Structural Information

Molecular Formula
C14H14O
SMILES
C1C2CC3C1C3C2C(=O)C4=CC=CC=C4
InChI
InChI=1S/C14H14O/c15-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)13(10)12/h1-5,9-13H,6-7H2
InChIKey
QJCNHRCIFVUZNR-UHFFFAOYSA-N
Compound name
phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.111736 136.9
[M+Na]+ 221.093678 146.0
[M-H]- 197.097184 142.6
[M+NH4]+ 216.138283 160.4
[M+K]+ 237.067618 141.0
[M+H-H2O]+ 181.101720 133.6
[M+HCOO]- 243.102661 154.9
[M+CH3COO]- 257.118311 150.2
[M+Na-2H]- 219.079126 141.2
[M]+ 198.10391142 143.9
[M]- 198.10500858 143.9
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

No patent data available for this compound.