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 128.3
[M+Na]+ 177.06345 136.2
[M-H]- 153.06695 129.7
[M+NH4]+ 172.10805 141.5
[M+K]+ 193.03739 139.0
[M+H-H2O]+ 137.07149 113.0
[M+HCOO]- 199.07243 144.1
[M+CH3COO]- 213.08808 189.4
[M+Na-2H]- 175.04890 133.4
[M]+ 154.07368 130.8
[M]- 154.07478 130.8
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.