CID 57339222

N(6)-[(3r)-3-methyl-d-ornithyl]-l-lysine(2+)

Structural Information

Molecular Formula
C12H26N4O3
SMILES
C[C@H](CCN)[C@H](C(=O)NCCCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C12H26N4O3/c1-8(5-6-13)10(15)11(17)16-7-3-2-4-9(14)12(18)19/h8-10H,2-7,13-15H2,1H3,(H,16,17)(H,18,19)/t8-,9+,10-/m1/s1
InChIKey
PBUWDBPUDWMXGC-KXUCPTDWSA-N
Compound name
(2S)-2-amino-6-[[(2R,3R)-2,5-diamino-3-methylpentanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

274.2005 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20778 169.8
[M+Na]+ 297.18972 170.0
[M-H]- 273.19322 166.2
[M+NH4]+ 292.23432 182.6
[M+K]+ 313.16366 169.7
[M+H-H2O]+ 257.19776 162.2
[M+HCOO]- 319.19870 188.3
[M+CH3COO]- 333.21435 210.0
[M+Na-2H]- 295.17517 164.6
[M]+ 274.19995 164.5
[M]- 274.20105 164.5
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.