CID 14299177

Isoleucyl-lysine

Structural Information

Molecular Formula
C12H25N3O3
SMILES
CCC(C)C(C(=O)NC(CCCCN)C(=O)O)N
InChI
InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
InChIKey
UWBDLNOCIDGPQE-UHFFFAOYSA-N
Compound name
6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

259.1896 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.19688 167.2
[M+Na]+ 282.17882 168.3
[M-H]- 258.18232 164.1
[M+NH4]+ 277.22342 181.3
[M+K]+ 298.15276 168.0
[M+H-H2O]+ 242.18686 160.2
[M+HCOO]- 304.18780 185.4
[M+CH3COO]- 318.20345 204.9
[M+Na-2H]- 280.16427 162.7
[M]+ 259.18905 163.8
[M]- 259.19015 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

patents stripe