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 164.5
[M+Na]+ 298.12612 167.1
[M-H]- 274.12962 166.9
[M+NH4]+ 293.17072 178.2
[M+K]+ 314.10006 169.7
[M+H-H2O]+ 258.13416 159.0
[M+HCOO]- 320.13510 180.6
[M+CH3COO]- 334.15075 195.7
[M+Na-2H]- 296.11157 166.5
[M]+ 275.13635 166.4
[M]- 275.13745 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.