CID 13394708

Bicyclo[2.2.1]heptane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC2(CCC1C2)C=O
InChI
InChI=1S/C8H12O/c9-6-8-3-1-7(5-8)2-4-8/h6-7H,1-5H2
InChIKey
HWSMGEOQSJOPQN-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 127.5
[M+Na]+ 147.07803 136.4
[M+NH4]+ 142.12263 139.1
[M+K]+ 163.05197 131.7
[M-H]- 123.08153 128.1
[M+Na-2H]- 145.06348 131.3
[M]+ 124.08826 128.8
[M]- 124.08936 128.8
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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