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]+ 155.081506 128.3
[M+Na]+ 177.063448 136.2
[M-H]- 153.066954 129.7
[M+NH4]+ 172.108053 141.5
[M+K]+ 193.037388 139.0
[M+H-H2O]+ 137.071490 113.0
[M+HCOO]- 199.072431 144.1
[M+CH3COO]- 213.088081 189.4
[M+Na-2H]- 175.048896 133.4
[M]+ 154.07368142 130.8
[M]- 154.07477858 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.