CID 126980521

3-methoxyazetidine-1-carbonitrile

Structural Information

Molecular Formula
C5H8N2O
SMILES
COC1CN(C1)C#N
InChI
InChI=1S/C5H8N2O/c1-8-5-2-7(3-5)4-6/h5H,2-3H2,1H3
InChIKey
KZIPLWPRKDQSGA-UHFFFAOYSA-N
Compound name
3-methoxyazetidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 111.3
[M+Na]+ 135.05288 119.5
[M-H]- 111.05638 113.7
[M+NH4]+ 130.09748 125.0
[M+K]+ 151.02682 123.7
[M+H-H2O]+ 95.060920 95.1
[M+HCOO]- 157.06186 129.6
[M+CH3COO]- 171.07751 185.8
[M+Na-2H]- 133.03833 118.6
[M]+ 112.06311 114.7
[M]- 112.06421 114.7
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.