CID 145874763

2375273-66-6

Structural Information

Molecular Formula
C9H12O
SMILES
C1C2CC(C1C=O)C3C2C3
InChI
InChI=1S/C9H12O/c10-4-6-1-5-2-7(6)9-3-8(5)9/h4-9H,1-3H2
InChIKey
XKKCDFGCBUTNRJ-UHFFFAOYSA-N
Compound name
tricyclo[3.2.1.02,4]octane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.8
[M-H]- 135.08154 134.7
[M+NH4]+ 154.12264 152.8
[M+K]+ 175.05198 136.7
[M+H-H2O]+ 119.08608 126.0
[M+HCOO]- 181.08702 150.4
[M+CH3COO]- 195.10267 144.1
[M+Na-2H]- 157.06349 134.6
[M]+ 136.08827 132.6
[M]- 136.08937 132.6
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

No patent data available for this compound.