CID 128837

Lysyllysine

Structural Information

Molecular Formula
C12H26N4O3
SMILES
C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C12H26N4O3/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1
InChIKey
NVGBPTNZLWRQSY-UWVGGRQHSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

12970
Patents

274.2005 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20778 168.1
[M+Na]+ 297.18972 169.0
[M+NH4]+ 292.23432 170.5
[M+K]+ 313.16366 168.0
[M-H]- 273.19322 165.1
[M+Na-2H]- 295.17517 165.1
[M]+ 274.19995 166.2
[M]- 274.20105 166.2
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