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

13442
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 168.5
[M+Na]+ 297.18972 168.8
[M-H]- 273.19322 164.7
[M+NH4]+ 292.23432 181.3
[M+K]+ 313.16366 168.0
[M+H-H2O]+ 257.19776 160.7
[M+HCOO]- 319.19870 188.0
[M+CH3COO]- 333.21435 209.0
[M+Na-2H]- 295.17517 164.6
[M]+ 274.19995 163.8
[M]- 274.20105 163.8
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.