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 143.0
[M+Na]+ 227.09147 147.2
[M-H]- 203.09497 140.3
[M+NH4]+ 222.13607 159.5
[M+K]+ 243.06541 145.9
[M+H-H2O]+ 187.09951 135.9
[M+HCOO]- 249.10045 165.0
[M+CH3COO]- 263.11610 193.5
[M+Na-2H]- 225.07692 144.8
[M]+ 204.10170 135.7
[M]- 204.10280 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.