CID 71695437

Oxetane-3-carbonitrile

Structural Information

Molecular Formula
C4H5NO
SMILES
C1C(CO1)C#N
InChI
InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2
InChIKey
PXDVPPINZKNVNF-UHFFFAOYSA-N
Compound name
oxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

83.03712 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 101.8
[M+Na]+ 106.026338 110.1
[M-H]- 82.029844 106.2
[M+NH4]+ 101.070943 116.6
[M+K]+ 122.000278 115.1
[M+H-H2O]+ 66.034380 86.8
[M+HCOO]- 128.035321 121.0
[M+CH3COO]- 142.050971 179.8
[M+Na-2H]- 104.011786 111.5
[M]+ 83.03657142 104.8
[M]- 83.03766858 104.8
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