CID 65494533

1909287-89-3

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C14H28N2O3/c1-9(2)5-11(7-13(17)18)8-16-14(19)12(15)6-10(3)4/h9-12H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)/t11-,12-/m0/s1
InChIKey
IRPWSULRVJZDIJ-RYUDHWBXSA-N
Compound name
(3S)-3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.21 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 170.2
[M+Na]+ 295.19922 173.2
[M+NH4]+ 290.24382 173.5
[M+K]+ 311.17316 172.1
[M-H]- 271.20272 166.7
[M+Na-2H]- 293.18467 167.6
[M]+ 272.20945 168.8
[M]- 272.21055 168.8
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

patents stripe