CID 134690868

1-(oxan-2-yl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCOC(C1)C2(CCC2)C=O
InChI
InChI=1S/C10H16O2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h8-9H,1-7H2
InChIKey
KUINUQYYAOFCER-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 130.8
[M+Na]+ 191.104258 134.5
[M-H]- 167.107764 137.2
[M+NH4]+ 186.148863 145.1
[M+K]+ 207.078198 137.7
[M+H-H2O]+ 151.112300 121.0
[M+HCOO]- 213.113241 149.0
[M+CH3COO]- 227.128891 179.9
[M+Na-2H]- 189.089706 137.7
[M]+ 168.11449142 135.8
[M]- 168.11558858 135.8
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.