CID 6992640

13588-94-8

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)N
InChI
InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
InChIKey
STTYIMSDIYISRG-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5083
Patents

204.11101 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 147.2
[M+Na]+ 227.10023 150.8
[M+NH4]+ 222.14483 150.8
[M+K]+ 243.07417 151.1
[M-H]- 203.10373 143.2
[M+Na-2H]- 225.08568 145.4
[M]+ 204.11046 145.6
[M]- 204.11156 145.6
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