CID 7022320

Lysylglycine

Structural Information

Molecular Formula
C8H17N3O3
SMILES
C(CCN)C[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C8H17N3O3/c9-4-2-1-3-6(10)8(14)11-5-7(12)13/h6H,1-5,9-10H2,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKey
HGNRJCINZYHNOU-LURJTMIESA-N
Compound name
2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

6710
Patents

203.127 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13428 147.6
[M+Na]+ 226.11622 150.7
[M-H]- 202.11972 145.0
[M+NH4]+ 221.16082 164.0
[M+K]+ 242.09016 150.2
[M+H-H2O]+ 186.12426 141.0
[M+HCOO]- 248.12520 169.0
[M+CH3COO]- 262.14085 191.0
[M+Na-2H]- 224.10167 147.7
[M]+ 203.12645 143.9
[M]- 203.12755 143.9
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