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]+ 275.160136 164.6
[M+Na]+ 297.142078 167.3
[M-H]- 273.145584 163.0
[M+NH4]+ 292.186683 179.2
[M+K]+ 313.116018 168.6
[M+H-H2O]+ 257.150120 158.9
[M+HCOO]- 319.151061 182.3
[M+CH3COO]- 333.166711 202.4
[M+Na-2H]- 295.127526 163.5
[M]+ 274.15231142 165.6
[M]- 274.15340858 165.6
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.