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

31
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 126.1
[M+Na]+ 147.07803 135.1
[M-H]- 123.08153 131.3
[M+NH4]+ 142.12263 144.6
[M+K]+ 163.05197 132.8
[M+H-H2O]+ 107.08607 120.6
[M+HCOO]- 169.08701 147.0
[M+CH3COO]- 183.10266 175.5
[M+Na-2H]- 145.06348 133.2
[M]+ 124.08826 126.3
[M]- 124.08936 126.3
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