CID 53346574

2-(3-oxetanylidene)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

182
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 106.4
[M+Na]+ 118.02634 114.6
[M-H]- 94.029844 110.6
[M+NH4]+ 113.07094 120.7
[M+K]+ 134.00028 118.8
[M+H-H2O]+ 78.034380 91.2
[M+HCOO]- 140.03532 125.4
[M+CH3COO]- 154.05097 181.1
[M+Na-2H]- 116.01179 115.4
[M]+ 95.036571 109.0
[M]- 95.037669 109.0
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