CID 53308470

2-(oxetan-3-ylidene)acetaldehyde

Structural Information

Molecular Formula
C5H6O2
SMILES
C1C(=CC=O)CO1
InChI
InChI=1S/C5H6O2/c6-2-1-5-3-7-4-5/h1-2H,3-4H2
InChIKey
YNPWQZQHYRKIRZ-UHFFFAOYSA-N
Compound name
2-(oxetan-3-ylidene)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

98.03678 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 109.8
[M+Na]+ 121.02600 116.5
[M-H]- 97.029504 114.3
[M+NH4]+ 116.07060 125.4
[M+K]+ 136.99994 120.3
[M+H-H2O]+ 81.034040 100.7
[M+HCOO]- 143.03498 132.4
[M+CH3COO]- 157.05063 167.4
[M+Na-2H]- 119.01145 118.9
[M]+ 98.036231 118.6
[M]- 98.037329 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe