CID 128888

Chebi:58122

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(=O)N(CCCC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C8H16N2O4/c1-6(11)10(14)5-3-2-4-7(9)8(12)13/h7,14H,2-5,9H2,1H3,(H,12,13)/t7-/m0/s1
InChIKey
YXKGOSZASIKYPU-ZETCQYMHSA-N
Compound name
(2S)-6-[acetyl(hydroxy)amino]-2-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2
Patents

204.11101 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 147.2
[M+Na]+ 227.10023 150.9
[M-H]- 203.10373 145.2
[M+NH4]+ 222.14483 164.2
[M+K]+ 243.07417 151.6
[M+H-H2O]+ 187.10827 141.2
[M+HCOO]- 249.10921 167.5
[M+CH3COO]- 263.12486 189.3
[M+Na-2H]- 225.08568 146.9
[M]+ 204.11046 146.2
[M]- 204.11156 146.2
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

patents stripe