CID 6993039

14486-09-0

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N
InChI
InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKey
YSGSDAIMSCVPHG-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

248.11946 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12674 159.3
[M+Na]+ 271.10868 162.6
[M+NH4]+ 266.15328 163.6
[M+K]+ 287.08262 159.7
[M-H]- 247.11218 156.3
[M+Na-2H]- 269.09413 157.5
[M]+ 248.11891 158.5
[M]- 248.12001 158.5
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