CID 91102603

3-hydroxyoxetane-3-carbonitrile

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1C(CO1)(C#N)O
InChI
InChI=1S/C4H5NO2/c5-1-4(6)2-7-3-4/h6H,2-3H2
InChIKey
FYRFQGJXETWAKL-UHFFFAOYSA-N
Compound name
3-hydroxyoxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

99.03203 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 108.1
[M+Na]+ 122.02125 116.7
[M-H]- 98.024754 111.6
[M+NH4]+ 117.06585 123.3
[M+K]+ 137.99519 120.9
[M+H-H2O]+ 82.029290 94.1
[M+HCOO]- 144.03023 126.1
[M+CH3COO]- 158.04588 178.8
[M+Na-2H]- 120.00670 117.9
[M]+ 99.031481 110.9
[M]- 99.032579 110.9
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