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]+ 113.070936 118.5
[M+Na]+ 135.052878 126.1
[M-H]- 111.056384 118.6
[M+NH4]+ 130.097483 132.5
[M+K]+ 151.026818 128.2
[M+H-H2O]+ 95.060920 103.5
[M+HCOO]- 157.061861 134.1
[M+CH3COO]- 171.077511 179.8
[M+Na-2H]- 133.038326 125.9
[M]+ 112.06311142 118.5
[M]- 112.06420858 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.