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]+ 205.109526 143.0
[M+Na]+ 227.091468 147.2
[M-H]- 203.094974 140.3
[M+NH4]+ 222.136073 159.5
[M+K]+ 243.065408 145.9
[M+H-H2O]+ 187.099510 135.9
[M+HCOO]- 249.100451 165.0
[M+CH3COO]- 263.116101 193.5
[M+Na-2H]- 225.076916 144.8
[M]+ 204.10170142 135.7
[M]- 204.10279858 135.7
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.