CID 72207944

Methyl 3-fluoroazetidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C5H8FNO2
SMILES
COC(=O)C1(CNC1)F
InChI
InChI=1S/C5H8FNO2/c1-9-4(8)5(6)2-7-3-5/h7H,2-3H2,1H3
InChIKey
WNLQSAXAATZVLU-UHFFFAOYSA-N
Compound name
methyl 3-fluoroazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

133.05391 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.061186 125.6
[M+Na]+ 156.043128 132.0
[M-H]- 132.046634 125.5
[M+NH4]+ 151.087733 140.8
[M+K]+ 172.017068 134.5
[M+H-H2O]+ 116.051170 115.5
[M+HCOO]- 178.052111 143.9
[M+CH3COO]- 192.067761 171.3
[M+Na-2H]- 154.028576 131.6
[M]+ 133.05336142 131.5
[M]- 133.05445858 131.5
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

patents stripe