CID 2097961

2408938-38-3

Structural Information

Molecular Formula
C12H22N2O5
SMILES
CC(C)[C@H](C(=O)O)NC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O5/c1-7(2)9(10(16)17)14-8(15)6-13-11(18)19-12(3,4)5/h7,9H,6H2,1-5H3,(H,13,18)(H,14,15)(H,16,17)/t9-/m1/s1
InChIKey
YXXMEXYAHMBYIU-SECBINFHSA-N
Compound name
(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15286 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16014 164.2
[M+Na]+ 297.14208 167.2
[M+NH4]+ 292.18668 166.6
[M+K]+ 313.11602 167.8
[M-H]- 273.14558 159.3
[M+Na-2H]- 295.12753 162.0
[M]+ 274.15231 162.3
[M]- 274.15341 162.3
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.