CID 18218222

Leucylthreonine

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)CC(C(=O)NC(C(C)O)C(=O)O)N
InChI
InChI=1S/C10H20N2O4/c1-5(2)4-7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
InChIKey
LRKCBIUDWAXNEG-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7482
Patents

232.1423 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 157.3
[M+Na]+ 255.13152 159.4
[M-H]- 231.13502 153.8
[M+NH4]+ 250.17612 172.3
[M+K]+ 271.10546 160.0
[M+H-H2O]+ 215.13956 151.4
[M+HCOO]- 277.14050 173.5
[M+CH3COO]- 291.15615 195.1
[M+Na-2H]- 253.11697 152.9
[M]+ 232.14175 153.9
[M]- 232.14285 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.