CID 3080576

Glycyllysine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

23
References

10219
Patents

203.127 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.134276 147.6
[M+Na]+ 226.116218 150.7
[M-H]- 202.119724 145.0
[M+NH4]+ 221.160823 164.0
[M+K]+ 242.090158 150.2
[M+H-H2O]+ 186.124260 141.0
[M+HCOO]- 248.125201 169.0
[M+CH3COO]- 262.140851 191.0
[M+Na-2H]- 224.101666 147.7
[M]+ 203.12645142 143.9
[M]- 203.12754858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.