CID 1502091

2348342-15-2

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)CCC(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-4-5-10(9-14)6-7-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKey
ZVYVZEUADCRFHK-JTQLQIEISA-N
Compound name
3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

257.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 161.4
[M+Na]+ 280.151938 165.1
[M-H]- 256.155444 161.1
[M+NH4]+ 275.196543 176.2
[M+K]+ 296.125878 164.3
[M+H-H2O]+ 240.159980 155.2
[M+HCOO]- 302.160921 175.2
[M+CH3COO]- 316.176571 192.2
[M+Na-2H]- 278.137386 162.1
[M]+ 257.16217142 160.0
[M]- 257.16326858 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