CID 7016877

13022-42-9

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)N
InChI
InChI=1S/C13H26N2O3/c1-8(2)6-10(14)12(16)15-11(7-9(3)4)13(17)18-5/h8-11H,6-7,14H2,1-5H3,(H,15,16)/t10-,11-/m0/s1
InChIKey
AJMOLNFDYWTVQW-QWRGUYRKSA-N
Compound name
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

495
Patents

258.19434 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 165.6
[M+Na]+ 281.18356 169.5
[M+NH4]+ 276.22816 169.5
[M+K]+ 297.15750 168.2
[M-H]- 257.18706 162.7
[M+Na-2H]- 279.16901 163.9
[M]+ 258.19379 164.5
[M]- 258.19489 164.5
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