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]+ 135.08045 123.1
[M+Na]+ 157.06239 128.9
[M+NH4]+ 152.10699 129.9
[M+K]+ 173.03633 128.3
[M-H]- 133.06589 121.4
[M+Na-2H]- 155.04784 122.8
[M]+ 134.07262 122.1
[M]- 134.07372 122.1
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.