CID 86721854

(e)-4-(3-fluoroazetidin-1-yl)but-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C7H10FNO2
SMILES
C1C(CN1C/C=C/C(=O)O)F
InChI
InChI=1S/C7H10FNO2/c8-6-4-9(5-6)3-1-2-7(10)11/h1-2,6H,3-5H2,(H,10,11)/b2-1+
InChIKey
OBEDMKHWGNCGQN-OWOJBTEDSA-N
Compound name
(E)-4-(3-fluoroazetidin-1-yl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

159.06955 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.076826 132.4
[M+Na]+ 182.058768 138.2
[M-H]- 158.062274 131.8
[M+NH4]+ 177.103373 144.7
[M+K]+ 198.032708 139.5
[M+H-H2O]+ 142.066810 120.8
[M+HCOO]- 204.067751 150.2
[M+CH3COO]- 218.083401 177.9
[M+Na-2H]- 180.044216 135.5
[M]+ 159.06900142 138.3
[M]- 159.07009858 138.3
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