CID 439460

3-hydroxy-n6,n6,n6-trimethyl-l-lysine

Structural Information

Molecular Formula
C9H21N2O3
SMILES
C[N+](C)(C)CCCC([C@@H](C(=O)O)N)O
InChI
InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1
InChIKey
ZRJHLGYVUCPZNH-MQWKRIRWSA-O
Compound name
[(5S)-5-amino-5-carboxy-4-hydroxypentyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

205.15521 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16249 145.0
[M+Na]+ 228.14443 148.7
[M-H]- 204.14793 143.4
[M+NH4]+ 223.18903 162.2
[M+K]+ 244.11837 143.4
[M+H-H2O]+ 188.15247 142.8
[M+HCOO]- 250.15341 163.7
[M+CH3COO]- 264.16906 183.4
[M+Na-2H]- 226.12988 149.1
[M]+ 205.15466 142.1
[M]- 205.15576 142.1
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