CID 155943529

2613299-46-8

Structural Information

Molecular Formula
C6H11FN2O3
SMILES
COC(=O)[C@H](C[C@H](C(=O)N)F)N
InChI
InChI=1S/C6H11FN2O3/c1-12-6(11)4(8)2-3(7)5(9)10/h3-4H,2,8H2,1H3,(H2,9,10)/t3-,4+/m1/s1
InChIKey
SRRQAOATGQXXRQ-DMTCNVIQSA-N
Compound name
methyl (2S,4R)-2,5-diamino-4-fluoro-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07536 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08264 137.7
[M+Na]+ 201.06458 142.8
[M-H]- 177.06808 135.6
[M+NH4]+ 196.10918 156.2
[M+K]+ 217.03852 143.6
[M+H-H2O]+ 161.07262 131.1
[M+HCOO]- 223.07356 158.3
[M+CH3COO]- 237.08921 185.6
[M+Na-2H]- 199.05003 137.3
[M]+ 178.07481 134.2
[M]- 178.07591 134.2
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.