CID 14999587

72449-42-4

Structural Information

Molecular Formula
C12H22N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(C)C)C(=O)O
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)13-8(10(16)17)6-7-9(15)14(4)5/h8H,6-7H2,1-5H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKey
MZRAADPAONILMH-QMMMGPOBSA-N
Compound name
(2S)-5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.15286 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16014 164.0
[M+Na]+ 297.14208 167.2
[M-H]- 273.14558 163.8
[M+NH4]+ 292.18668 179.4
[M+K]+ 313.11602 169.3
[M+H-H2O]+ 257.15012 158.2
[M+HCOO]- 319.15106 183.2
[M+CH3COO]- 333.16671 204.7
[M+Na-2H]- 295.12753 163.5
[M]+ 274.15231 167.0
[M]- 274.15341 167.0
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