CID 556274

2-{bicyclo[2.2.1]hept-5-en-2-yl}acetaldehyde

Structural Information

Molecular Formula
C9H12O
SMILES
C1C2CC(C1C=C2)CC=O
InChI
InChI=1S/C9H12O/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,4,7-9H,3,5-6H2
InChIKey
HGPAAOXEISGNNV-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]hept-5-enyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

136.08882 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 129.8
[M+Na]+ 159.078038 138.0
[M-H]- 135.081544 132.8
[M+NH4]+ 154.122643 156.8
[M+K]+ 175.051978 136.0
[M+H-H2O]+ 119.086080 125.8
[M+HCOO]- 181.087021 153.0
[M+CH3COO]- 195.102671 173.6
[M+Na-2H]- 157.063486 134.5
[M]+ 136.08827142 130.1
[M]- 136.08936858 130.1
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