CID 6439607

Alpha-fmdo

Structural Information

Molecular Formula
C6H11FN2O2
SMILES
C(/C=C/C(CF)(C(=O)O)N)N
InChI
InChI=1S/C6H11FN2O2/c7-4-6(9,5(10)11)2-1-3-8/h1-2H,3-4,8-9H2,(H,10,11)/b2-1+
InChIKey
VZKIJNFPNWRGLM-OWOJBTEDSA-N
Compound name
(E)-2,5-diamino-2-(fluoromethyl)pent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

162.08046 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08774 133.7
[M+Na]+ 185.06968 139.5
[M-H]- 161.07318 130.2
[M+NH4]+ 180.11428 152.4
[M+K]+ 201.04362 137.7
[M+H-H2O]+ 145.07772 128.0
[M+HCOO]- 207.07866 153.9
[M+CH3COO]- 221.09431 178.4
[M+Na-2H]- 183.05513 137.3
[M]+ 162.07991 128.3
[M]- 162.08101 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe