CID 87953587

171262-64-9

Structural Information

Molecular Formula
C8H16N2O4
SMILES
C(CCNC(=O)CO)C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-7(12)5-11/h6,11H,1-5,9H2,(H,10,12)(H,13,14)/t6-/m0/s1
InChIKey
CUAIAXBEFIRPKG-LURJTMIESA-N
Compound name
(2S)-2-amino-6-[(2-hydroxyacetyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

204.11101 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 147.0
[M+Na]+ 227.10023 150.5
[M-H]- 203.10373 143.5
[M+NH4]+ 222.14483 163.3
[M+K]+ 243.07417 149.8
[M+H-H2O]+ 187.10827 141.0
[M+HCOO]- 249.10921 166.8
[M+CH3COO]- 263.12486 185.9
[M+Na-2H]- 225.08568 147.4
[M]+ 204.11046 144.7
[M]- 204.11156 144.7
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