CID 12443191

(2r,3s,6s)-2,6-diamino-3-hydroxy-diaminopimelate

Structural Information

Molecular Formula
C7H14N2O5
SMILES
C(C[C@@H](C(=O)O)N)[C@@H]([C@H](C(=O)O)N)O
InChI
InChI=1S/C7H14N2O5/c8-3(6(11)12)1-2-4(10)5(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)/t3-,4-,5+/m0/s1
InChIKey
JHMRHRMTDUWTBU-VAYJURFESA-N
Compound name
(2R,3S,6S)-2,6-diamino-3-hydroxyheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.09027 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09755 146.1
[M+Na]+ 229.07949 148.9
[M-H]- 205.08299 140.9
[M+NH4]+ 224.12409 160.9
[M+K]+ 245.05343 149.1
[M+H-H2O]+ 189.08753 140.3
[M+HCOO]- 251.08847 162.3
[M+CH3COO]- 265.10412 185.3
[M+Na-2H]- 227.06494 142.9
[M]+ 206.08972 140.7
[M]- 206.09082 140.7
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

patents stripe