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]+ 260.149246 159.3
[M+Na]+ 282.131188 163.3
[M-H]- 258.134694 159.2
[M+NH4]+ 277.175793 173.9
[M+K]+ 298.105128 163.3
[M+H-H2O]+ 242.139230 153.1
[M+HCOO]- 304.140171 173.7
[M+CH3COO]- 318.155821 191.4
[M+Na-2H]- 280.116636 160.7
[M]+ 259.14142142 159.0
[M]- 259.14251858 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

patents stripe