CID 122706517

Delta-mfma

Structural Information

Molecular Formula
C7H13FN4O2
SMILES
C(/C=C/[C@@](CF)(C(=O)O)N)N=C(N)N
InChI
InChI=1S/C7H13FN4O2/c8-4-7(11,5(13)14)2-1-3-12-6(9)10/h1-2H,3-4,11H2,(H,13,14)(H4,9,10,12)/b2-1+/t7-/m1/s1
InChIKey
UDWPEHOXJIIOEY-QOHHWTFISA-N
Compound name
(E,2S)-2-amino-5-(diaminomethylideneamino)-2-(fluoromethyl)pent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10225 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10953 141.9
[M+Na]+ 227.09147 144.4
[M+NH4]+ 222.13607 145.2
[M+K]+ 243.06541 143.6
[M-H]- 203.09497 138.3
[M+Na-2H]- 225.07692 141.3
[M]+ 204.10170 140.2
[M]- 204.10280 140.2
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.