CID 31164575

1354008-66-4

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)OCC(=O)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-5-9(7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKey
YYLYNLCAWXUCDY-SECBINFHSA-N
Compound name
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

259.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.3
[M+Na]+ 282.13119 163.3
[M-H]- 258.13469 159.2
[M+NH4]+ 277.17579 173.9
[M+K]+ 298.10513 163.3
[M+H-H2O]+ 242.13923 153.1
[M+HCOO]- 304.14017 173.7
[M+CH3COO]- 318.15582 191.4
[M+Na-2H]- 280.11664 160.7
[M]+ 259.14142 159.0
[M]- 259.14252 159.0
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.