CID 440121

Trimethyllysine

Structural Information

Molecular Formula
C9H21N2O2
SMILES
C[N+](C)(C)CCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
InChIKey
MXNRLFUSFKVQSK-QMMMGPOBSA-O
Compound name
[(5S)-5-amino-5-carboxypentyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

216
References

5946
Patents

189.16031 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.16759 142.0
[M+Na]+ 212.14953 146.5
[M-H]- 188.15303 141.8
[M+NH4]+ 207.19413 160.9
[M+K]+ 228.12347 141.1
[M+H-H2O]+ 172.15757 139.8
[M+HCOO]- 234.15851 163.0
[M+CH3COO]- 248.17416 183.1
[M+Na-2H]- 210.13498 147.8
[M]+ 189.15976 140.4
[M]- 189.16086 140.4
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