CID 6992638

H-val-ala-oh

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

4
References

6932
Patents

188.11609 Da
Monoisotopic Mass

-3.8
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