CID 75481598

2-(3-hydroxyazetidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1C(CN1)(CC#N)O
InChI
InChI=1S/C5H8N2O/c6-2-1-5(8)3-7-4-5/h7-8H,1,3-4H2
InChIKey
IZKZGFSAIUSQTP-UHFFFAOYSA-N
Compound name
2-(3-hydroxyazetidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

112.06366 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 118.5
[M+Na]+ 135.05288 126.1
[M-H]- 111.05638 118.6
[M+NH4]+ 130.09748 132.5
[M+K]+ 151.02682 128.2
[M+H-H2O]+ 95.060920 103.5
[M+HCOO]- 157.06186 134.1
[M+CH3COO]- 171.07751 179.8
[M+Na-2H]- 133.03833 125.9
[M]+ 112.06311 118.5
[M]- 112.06421 118.5
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.