CID 87253536

N6-acetyl-5s-hydroxy-l-lysine

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(=O)NCC(CCC(C(=O)O)N)O
InChI
InChI=1S/C8H16N2O4/c1-5(11)10-4-6(12)2-3-7(9)8(13)14/h6-7,12H,2-4,9H2,1H3,(H,10,11)(H,13,14)
InChIKey
FVTTTYGNCVTXEI-UHFFFAOYSA-N
Compound name
6-acetamido-2-amino-5-hydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

204.11101 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 147.7
[M+Na]+ 227.100228 151.0
[M-H]- 203.103734 144.3
[M+NH4]+ 222.144833 163.9
[M+K]+ 243.074168 150.8
[M+H-H2O]+ 187.108270 141.8
[M+HCOO]- 249.109211 166.5
[M+CH3COO]- 263.124861 186.9
[M+Na-2H]- 225.085676 146.8
[M]+ 204.11046142 144.7
[M]- 204.11155858 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