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]+ 276.144176 164.5
[M+Na]+ 298.126118 167.1
[M-H]- 274.129624 166.9
[M+NH4]+ 293.170723 178.2
[M+K]+ 314.100058 169.7
[M+H-H2O]+ 258.134160 159.0
[M+HCOO]- 320.135101 180.6
[M+CH3COO]- 334.150751 195.7
[M+Na-2H]- 296.111566 166.5
[M]+ 275.13635142 166.4
[M]- 275.13744858 166.4
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.