CID 2734644

59279-60-6

Structural Information

Molecular Formula
C12H21NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)C(=O)OC
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1
InChIKey
QNSPKWUAZQIIGZ-QMMMGPOBSA-N
Compound name
dimethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

408
Patents

275.1369 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.144176 162.5
[M+Na]+ 298.126118 166.9
[M-H]- 274.129624 162.4
[M+NH4]+ 293.170723 178.4
[M+K]+ 314.100058 168.9
[M+H-H2O]+ 258.134160 157.0
[M+HCOO]- 320.135101 182.1
[M+CH3COO]- 334.150751 200.0
[M+Na-2H]- 296.111566 163.2
[M]+ 275.13635142 168.5
[M]- 275.13744858 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe