CID 86704406

Bicyclo[4.1.0]heptane-3-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC2CC2CC1C=O
InChI
InChI=1S/C8H12O/c9-5-6-1-2-7-4-8(7)3-6/h5-8H,1-4H2
InChIKey
POCVPBVIDMXXGU-UHFFFAOYSA-N
Compound name
bicyclo[4.1.0]heptane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.0
[M+Na]+ 147.07803 138.0
[M+NH4]+ 142.12263 135.5
[M+K]+ 163.05197 132.8
[M-H]- 123.08153 134.1
[M+Na-2H]- 145.06348 132.7
[M]+ 124.08826 130.5
[M]- 124.08936 130.5
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

patents stripe