CID 7145558

2165721-73-1

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-9-5-4-6-10(14)7-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKey
BRQMDBOVDLUBAI-SNVBAGLBSA-N
Compound name
3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 161.4
[M+Na]+ 280.15194 165.1
[M-H]- 256.15544 161.1
[M+NH4]+ 275.19654 176.2
[M+K]+ 296.12588 164.3
[M+H-H2O]+ 240.15998 155.2
[M+HCOO]- 302.16092 175.2
[M+CH3COO]- 316.17657 192.2
[M+Na-2H]- 278.13739 162.1
[M]+ 257.16217 160.0
[M]- 257.16327 160.0
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