CID 86864

Bicyclo[2.2.1]heptane-2-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC2CC1CC2C=O
InChI
InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2
InChIKey
UAQYREPFSVCDHT-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

124.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 126.0
[M+Na]+ 147.07803 135.1
[M+NH4]+ 142.12263 136.1
[M+K]+ 163.05197 132.4
[M-H]- 123.08153 126.6
[M+Na-2H]- 145.06348 128.1
[M]+ 124.08826 127.2
[M]- 124.08936 127.2
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

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