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

149
Patents

136.08882 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 129.8
[M+Na]+ 159.07804 138.0
[M-H]- 135.08154 132.8
[M+NH4]+ 154.12264 156.8
[M+K]+ 175.05198 136.0
[M+H-H2O]+ 119.08608 125.8
[M+HCOO]- 181.08702 153.0
[M+CH3COO]- 195.10267 173.6
[M+Na-2H]- 157.06349 134.5
[M]+ 136.08827 130.1
[M]- 136.08937 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