CID 13028286

(1r,6s,7r)-bicyclo[4.1.0]hept-3-ene-7-carbaldehyde

Structural Information

Molecular Formula
C8H10O
SMILES
C1C=CC[C@H]2[C@@H]1C2C=O
InChI
InChI=1S/C8H10O/c9-5-8-6-3-1-2-4-7(6)8/h1-2,5-8H,3-4H2/t6-,7+,8?
InChIKey
ONIBDMBAIDMADC-DHBOJHSNSA-N
Compound name
(1S,6R)-bicyclo[4.1.0]hept-3-ene-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 124.1
[M+Na]+ 145.062384 134.1
[M-H]- 121.065890 129.7
[M+NH4]+ 140.106989 142.9
[M+K]+ 161.036324 131.7
[M+H-H2O]+ 105.070426 118.7
[M+HCOO]- 167.071367 146.6
[M+CH3COO]- 181.087017 175.1
[M+Na-2H]- 143.047832 132.2
[M]+ 122.07261742 125.7
[M]- 122.07371458 125.7
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.