CID 137838078

2089255-20-7

Structural Information

Molecular Formula
C12H21NO6
SMILES
CC(C)(C)OC(=O)NC(CCC1OCCO1)C(=O)O
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(14)15)4-5-9-17-6-7-18-9/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
PLVSNGIMTVWWNF-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1369 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14418 163.1
[M+Na]+ 298.12612 167.3
[M+NH4]+ 293.17072 166.6
[M+K]+ 314.10006 169.3
[M-H]- 274.12962 162.4
[M+Na-2H]- 296.11157 161.5
[M]+ 275.13635 162.8
[M]- 275.13745 162.8
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.