CID 53484567

3-ethyloxetane-3-carbaldehyde

Structural Information

Molecular Formula
C6H10O2
SMILES
CCC1(COC1)C=O
InChI
InChI=1S/C6H10O2/c1-2-6(3-7)4-8-5-6/h3H,2,4-5H2,1H3
InChIKey
WBBLZANXGQZNNM-UHFFFAOYSA-N
Compound name
3-ethyloxetane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

114.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 116.6
[M+Na]+ 137.05730 123.4
[M-H]- 113.06080 121.3
[M+NH4]+ 132.10190 133.6
[M+K]+ 153.03124 127.5
[M+H-H2O]+ 97.065340 108.5
[M+HCOO]- 159.06628 138.7
[M+CH3COO]- 173.08193 171.5
[M+Na-2H]- 135.04275 126.1
[M]+ 114.06753 126.8
[M]- 114.06863 126.8
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

patents stripe