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

372
Patents

275.1369 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14418 162.5
[M+Na]+ 298.12612 167.3
[M+NH4]+ 293.17072 165.4
[M+K]+ 314.10006 166.9
[M-H]- 274.12962 157.6
[M+Na-2H]- 296.11157 161.3
[M]+ 275.13635 161.1
[M]- 275.13745 161.1
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