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]+ 139.11174 117.8
[M+Na]+ 161.09368 121.9
[M-H]- 137.09718 123.8
[M+NH4]+ 156.13828 126.2
[M+K]+ 177.06762 126.4
[M+H-H2O]+ 121.10172 104.1
[M+HCOO]- 183.10266 136.8
[M+CH3COO]- 197.11831 187.9
[M+Na-2H]- 159.07913 122.8
[M]+ 138.10391 132.2
[M]- 138.10501 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.