CID 165947662

(2s,4s)-2-amino-5-carbamimidamido-4-fluoropentanoic acid dihydrochloride

Structural Information

Molecular Formula
C6H13FN4O2
SMILES
C([C@@H](CN=C(N)N)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13FN4O2/c7-3(2-11-6(9)10)1-4(8)5(12)13/h3-4H,1-2,8H2,(H,12,13)(H4,9,10,11)/t3-,4-/m0/s1
InChIKey
PAOMIWIMTZCDIU-IMJSIDKUSA-N
Compound name
(2S,4S)-2-amino-5-(diaminomethylideneamino)-4-fluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.10225 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10953 142.0
[M+Na]+ 215.09147 145.4
[M-H]- 191.09497 139.3
[M+NH4]+ 210.13607 158.7
[M+K]+ 231.06541 145.6
[M+H-H2O]+ 175.09951 134.3
[M+HCOO]- 237.10045 163.6
[M+CH3COO]- 251.11610 193.7
[M+Na-2H]- 213.07692 140.8
[M]+ 192.10170 134.3
[M]- 192.10280 134.3
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

No patent data available for this compound.