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]+ 174.07608 135.3
[M+Na]+ 196.05802 140.4
[M-H]- 172.06152 136.0
[M+NH4]+ 191.10262 146.9
[M+K]+ 212.03196 143.8
[M+H-H2O]+ 156.06606 124.2
[M+HCOO]- 218.06700 153.5
[M+CH3COO]- 232.08265 180.2
[M+Na-2H]- 194.04347 137.8
[M]+ 173.06825 144.5
[M]- 173.06935 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.