CID 177801967

3-oxoazetidine-1-carbonitrile

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1C(=O)CN1C#N
InChI
InChI=1S/C4H4N2O/c5-3-6-1-4(7)2-6/h1-2H2
InChIKey
CWCDBRJNDGOTIW-UHFFFAOYSA-N
Compound name
3-oxoazetidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

96.032364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 107.5
[M+Na]+ 119.02158 116.2
[M-H]- 95.025088 110.0
[M+NH4]+ 114.06619 121.6
[M+K]+ 134.99552 120.1
[M+H-H2O]+ 79.029624 91.5
[M+HCOO]- 141.03056 126.1
[M+CH3COO]- 155.04622 182.3
[M+Na-2H]- 117.00703 115.0
[M]+ 96.031815 109.8
[M]- 96.032913 109.8
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

No patent data available for this compound.