CID 71433469

Oxetane-2-carbonitrile

Structural Information

Molecular Formula
C4H5NO
SMILES
C1COC1C#N
InChI
InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2
InChIKey
SHMLZNJGRQRUSC-UHFFFAOYSA-N
Compound name
oxetane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

83.03712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 101.8
[M+Na]+ 106.02634 110.1
[M-H]- 82.029844 106.2
[M+NH4]+ 101.07094 116.6
[M+K]+ 122.00028 115.1
[M+H-H2O]+ 66.034380 86.8
[M+HCOO]- 128.03532 121.0
[M+CH3COO]- 142.05097 179.8
[M+Na-2H]- 104.01179 111.5
[M]+ 83.036571 104.8
[M]- 83.037669 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