CID 146048615

Rac-(2r,5s)-tricyclo[4.2.1.0,2,5]non-7-en-3-one

Structural Information

Molecular Formula
C9H10O
SMILES
C1[C@@H]2[C@H](C1=O)C3CC2C=C3
InChI
InChI=1S/C9H10O/c10-8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-7,9H,3-4H2/t5?,6?,7-,9+/m0/s1
InChIKey
ZHWRWUYPONZDQY-XDBMUJACSA-N
Compound name
(2R,5S)-tricyclo[4.2.1.02,5]non-7-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.07317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 122.2
[M+Na]+ 157.062388 130.4
[M-H]- 133.065894 127.0
[M+NH4]+ 152.106993 144.1
[M+K]+ 173.036328 130.8
[M+H-H2O]+ 117.070430 115.0
[M+HCOO]- 179.071371 143.5
[M+CH3COO]- 193.087021 178.2
[M+Na-2H]- 155.047836 127.6
[M]+ 134.07262142 131.4
[M]- 134.07371858 131.4
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

No patent data available for this compound.