CID 84050300

2-[(1-acetylazetidin-3-yl)oxy]acetic acid

Structural Information

Molecular Formula
C7H11NO4
SMILES
CC(=O)N1CC(C1)OCC(=O)O
InChI
InChI=1S/C7H11NO4/c1-5(9)8-2-6(3-8)12-4-7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKey
CDSKFICLVMNVMI-UHFFFAOYSA-N
Compound name
2-(1-acetylazetidin-3-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 135.3
[M+Na]+ 196.058018 140.4
[M-H]- 172.061524 136.0
[M+NH4]+ 191.102623 146.9
[M+K]+ 212.031958 143.8
[M+H-H2O]+ 156.066060 124.2
[M+HCOO]- 218.067001 153.5
[M+CH3COO]- 232.082651 180.2
[M+Na-2H]- 194.043466 137.8
[M]+ 173.06825142 144.5
[M]- 173.06934858 144.5
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.