CID 145867129

2375248-87-4

Structural Information

Molecular Formula
C13H23NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](COC1CCOCC1)C(=O)O
InChI
InChI=1S/C13H23NO6/c1-13(2,3)20-12(17)14-10(11(15)16)8-19-9-4-6-18-7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKey
FWGJYHRFHSLXJY-JTQLQIEISA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.15253 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15981 166.4
[M+Na]+ 312.14175 167.8
[M-H]- 288.14525 167.7
[M+NH4]+ 307.18635 179.0
[M+K]+ 328.11569 169.7
[M+H-H2O]+ 272.14979 160.0
[M+HCOO]- 334.15073 181.1
[M+CH3COO]- 348.16638 199.0
[M+Na-2H]- 310.12720 168.2
[M]+ 289.15198 166.2
[M]- 289.15308 166.2
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.