CID 3032849

5-hydroxylysine

Structural Information

Molecular Formula
C6H14N2O3
SMILES
C(C[C@@H](C(=O)O)N)[C@H](CN)O
InChI
InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
InChIKey
YSMODUONRAFBET-UHNVWZDZSA-N
Compound name
(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

899
References

80494
Patents

162.10045 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.107726 137.3
[M+Na]+ 185.089668 141.3
[M-H]- 161.093174 133.6
[M+NH4]+ 180.134273 155.0
[M+K]+ 201.063608 140.8
[M+H-H2O]+ 145.097710 131.8
[M+HCOO]- 207.098651 156.6
[M+CH3COO]- 221.114301 178.7
[M+Na-2H]- 183.075116 137.5
[M]+ 162.09990142 132.5
[M]- 162.10099858 132.5
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

patents stripe