CID 96799

L-alanyl-l-valine

Structural Information

Molecular Formula
C8H16N2O3
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI
InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKey
LIWMQSWFLXEGMA-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

4721
Patents

188.11609 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 144.4
[M+Na]+ 211.10531 149.0
[M+NH4]+ 206.14991 148.9
[M+K]+ 227.07925 148.4
[M-H]- 187.10881 141.4
[M+Na-2H]- 209.09076 143.7
[M]+ 188.11554 143.4
[M]- 188.11664 143.4
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