CID 130725811

2-(1-acetyl-3-hydroxyazetidin-3-yl)acetonitrile

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(=O)N1CC(C1)(CC#N)O
InChI
InChI=1S/C7H10N2O2/c1-6(10)9-4-7(11,5-9)2-3-8/h11H,2,4-5H2,1H3
InChIKey
TUYOXDFAMIHSTN-UHFFFAOYSA-N
Compound name
2-(1-acetyl-3-hydroxyazetidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 134.1
[M+Na]+ 177.06345 139.5
[M+NH4]+ 172.10805 135.4
[M+K]+ 193.03739 132.8
[M-H]- 153.06695 124.1
[M+Na-2H]- 175.04890 134.3
[M]+ 154.07368 130.1
[M]- 154.07478 130.1
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.