CID 130067980

3-(aminomethyl)oxetane-3-carbonitrile

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1C(CO1)(CN)C#N
InChI
InChI=1S/C5H8N2O/c6-1-5(2-7)3-8-4-5/h1,3-4,6H2
InChIKey
MXFBOXJSBFSDDI-UHFFFAOYSA-N
Compound name
3-(aminomethyl)oxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.06366 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 125.5
[M+Na]+ 135.05288 131.1
[M+NH4]+ 130.09748 128.1
[M+K]+ 151.02682 123.9
[M-H]- 111.05638 118.6
[M+Na-2H]- 133.03833 126.9
[M]+ 112.06311 122.5
[M]- 112.06421 122.5
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

No patent data available for this compound.