CID 7010499

Lysyl-isoleucine

Structural Information

Molecular Formula
C12H25N3O3
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1
InChIKey
FMIIKPHLJKUXGE-GUBZILKMSA-N
Compound name
(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2239
Patents

259.1896 Da
Monoisotopic Mass

-3.2
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

literature stripe

Patent stripe

patents stripe