CID 6992341

Lysylvaline

Structural Information

Molecular Formula
C11H23N3O3
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChIKey
YQAIUOWPSUOINN-IUCAKERBSA-N
Compound name
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5302
Patents

245.17393 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.181206 162.8
[M+Na]+ 268.163148 164.3
[M-H]- 244.166654 159.9
[M+NH4]+ 263.207753 177.4
[M+K]+ 284.137088 164.2
[M+H-H2O]+ 228.171190 156.0
[M+HCOO]- 290.172131 181.3
[M+CH3COO]- 304.187781 202.0
[M+Na-2H]- 266.148596 158.7
[M]+ 245.17338142 158.9
[M]- 245.17447858 158.9
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