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
2
Annotation Hits

4
References

5289
Patents

245.17393 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18121 162.8
[M+Na]+ 268.16315 164.3
[M-H]- 244.16665 159.9
[M+NH4]+ 263.20775 177.4
[M+K]+ 284.13709 164.2
[M+H-H2O]+ 228.17119 156.0
[M+HCOO]- 290.17213 181.3
[M+CH3COO]- 304.18778 202.0
[M+Na-2H]- 266.14860 158.7
[M]+ 245.17338 158.9
[M]- 245.17448 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.