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

2
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 115.5
[M+Na]+ 135.05288 123.2
[M-H]- 111.05638 119.4
[M+NH4]+ 130.09748 130.3
[M+K]+ 151.02682 127.3
[M+H-H2O]+ 95.060920 100.5
[M+HCOO]- 157.06186 134.4
[M+CH3COO]- 171.07751 185.6
[M+Na-2H]- 133.03833 124.1
[M]+ 112.06311 117.3
[M]- 112.06421 117.3
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