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 122.2
[M+Na]+ 157.06239 130.4
[M-H]- 133.06589 127.0
[M+NH4]+ 152.10699 144.1
[M+K]+ 173.03633 130.8
[M+H-H2O]+ 117.07043 115.0
[M+HCOO]- 179.07137 143.5
[M+CH3COO]- 193.08702 178.2
[M+Na-2H]- 155.04784 127.6
[M]+ 134.07262 131.4
[M]- 134.07372 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.