CID 6427004

L-alanyl-l-threonine

Structural Information

Molecular Formula
C7H14N2O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)N)O
InChI
InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKey
BUQICHWNXBIBOG-LMVFSUKVSA-N
Compound name
(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5697
Patents

190.09535 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10263 143.5
[M+Na]+ 213.08457 147.0
[M-H]- 189.08807 140.4
[M+NH4]+ 208.12917 160.2
[M+K]+ 229.05851 147.7
[M+H-H2O]+ 173.09261 137.9
[M+HCOO]- 235.09355 161.6
[M+CH3COO]- 249.10920 185.0
[M+Na-2H]- 211.07002 141.8
[M]+ 190.09480 139.5
[M]- 190.09590 139.5
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