CID 11346754

850312-86-6

Structural Information

Molecular Formula
C13H24N2O5
SMILES
CC(C)[C@H](C(=O)NCC(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O5/c1-8(2)10(11(17)14-7-9(16)19-6)15-12(18)20-13(3,4)5/h8,10H,7H2,1-6H3,(H,14,17)(H,15,18)/t10-/m1/s1
InChIKey
ANHLFUWXEKATOI-SNVBAGLBSA-N
Compound name
methyl 2-[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.175796 168.8
[M+Na]+ 311.157738 171.7
[M-H]- 287.161244 168.6
[M+NH4]+ 306.202343 183.8
[M+K]+ 327.131678 173.6
[M+H-H2O]+ 271.165780 162.9
[M+HCOO]- 333.166721 187.8
[M+CH3COO]- 347.182371 207.0
[M+Na-2H]- 309.143186 167.9
[M]+ 288.16797142 172.2
[M]- 288.16906858 172.2
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.