CID 165894731

Methyl 3-(azetidin-3-yl)-2-fluoropropanoate hydrochloride

Structural Information

Molecular Formula
C7H12FNO2
SMILES
COC(=O)C(CC1CNC1)F
InChI
InChI=1S/C7H12FNO2/c1-11-7(10)6(8)2-5-3-9-4-5/h5-6,9H,2-4H2,1H3
InChIKey
NUMCYXULMHSFDA-UHFFFAOYSA-N
Compound name
methyl 3-(azetidin-3-yl)-2-fluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.0852 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09248 135.3
[M+Na]+ 184.07442 139.7
[M-H]- 160.07792 134.3
[M+NH4]+ 179.11902 147.2
[M+K]+ 200.04836 142.0
[M+H-H2O]+ 144.08246 123.3
[M+HCOO]- 206.08340 151.9
[M+CH3COO]- 220.09905 178.5
[M+Na-2H]- 182.05987 137.7
[M]+ 161.08465 140.9
[M]- 161.08575 140.9
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.