CID 53346574

2-(oxetan-3-ylidene)acetonitrile

Structural Information

Molecular Formula
C5H5NO
SMILES
C1C(=CC#N)CO1
InChI
InChI=1S/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2
InChIKey
DSKHBLMKLTZNRU-UHFFFAOYSA-N
Compound name
2-(oxetan-3-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

95.03712 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 119.7
[M+Na]+ 118.02634 126.7
[M+NH4]+ 113.07094 121.5
[M+K]+ 134.00028 120.3
[M-H]- 94.029844 112.7
[M+Na-2H]- 116.01179 120.5
[M]+ 95.036571 116.8
[M]- 95.037669 116.8
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