CID 10943686

(2s,3s,6s)-3-fluoro-2,6-diaminopimelate

Structural Information

Molecular Formula
C7H13FN2O4
SMILES
C(C[C@@H](C(=O)O)N)[C@H]([C@H](C(=O)O)N)F
InChI
InChI=1S/C7H13FN2O4/c8-3(5(10)7(13)14)1-2-4(9)6(11)12/h3-5H,1-2,9-10H2,(H,11,12)(H,13,14)/t3-,4+,5-/m1/s1
InChIKey
ZQKLVBKCIIPVLC-MROZADKFSA-N
Compound name
(2S,3R,6S)-2,6-diamino-3-fluoroheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08594 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09322 145.5
[M+Na]+ 231.07516 149.0
[M-H]- 207.07866 140.4
[M+NH4]+ 226.11976 161.0
[M+K]+ 247.04910 149.0
[M+H-H2O]+ 191.08320 138.9
[M+HCOO]- 253.08414 162.0
[M+CH3COO]- 267.09979 187.9
[M+Na-2H]- 229.06061 142.3
[M]+ 208.08539 139.5
[M]- 208.08649 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.