CID 13691866

Ethanone, 1-tricyclo[2.2.1.02,6]hept-3-yl-

Structural Information

Molecular Formula
C9H12O
SMILES
CC(=O)C1C2CC3C1C3C2
InChI
InChI=1S/C9H12O/c1-4(10)8-5-2-6-7(3-5)9(6)8/h5-9H,2-3H2,1H3
InChIKey
SRUPJZPLNFIJOB-UHFFFAOYSA-N
Compound name
1-(3-tricyclo[2.2.1.02,6]heptanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 127.5
[M+Na]+ 159.07804 137.4
[M-H]- 135.08154 130.3
[M+NH4]+ 154.12264 153.5
[M+K]+ 175.05198 133.4
[M+H-H2O]+ 119.08608 125.0
[M+HCOO]- 181.08702 145.0
[M+CH3COO]- 195.10267 141.4
[M+Na-2H]- 157.06349 132.3
[M]+ 136.08827 134.9
[M]- 136.08937 134.9
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.