CID 84078217

1781866-69-0

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC(C1)C2CC(C2)C=O
InChI
InChI=1S/C9H14O/c10-6-7-4-9(5-7)8-2-1-3-8/h6-9H,1-5H2
InChIKey
XSXQTNAHWIJEND-UHFFFAOYSA-N
Compound name
3-cyclobutylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 117.8
[M+Na]+ 161.093678 121.9
[M-H]- 137.097184 123.8
[M+NH4]+ 156.138283 126.2
[M+K]+ 177.067618 126.4
[M+H-H2O]+ 121.101720 104.1
[M+HCOO]- 183.102661 136.8
[M+CH3COO]- 197.118311 187.9
[M+Na-2H]- 159.079126 122.8
[M]+ 138.10391142 132.2
[M]- 138.10500858 132.2
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.