CID 19773260

Mfma

Structural Information

Molecular Formula
C7H15FN4O2
SMILES
C(CC(CF)(C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C7H15FN4O2/c8-4-7(11,5(13)14)2-1-3-12-6(9)10/h1-4,11H2,(H,13,14)(H4,9,10,12)
InChIKey
ZAJPVQSJWGQONE-UHFFFAOYSA-N
Compound name
2-amino-5-(diaminomethylideneamino)-2-(fluoromethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

206.1179 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12518 143.8
[M+Na]+ 229.10712 147.7
[M-H]- 205.11062 141.1
[M+NH4]+ 224.15172 160.3
[M+K]+ 245.08106 147.0
[M+H-H2O]+ 189.11516 136.6
[M+HCOO]- 251.11610 165.6
[M+CH3COO]- 265.13175 195.0
[M+Na-2H]- 227.09257 145.7
[M]+ 206.11735 137.3
[M]- 206.11845 137.3
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