CID 643516

163438-09-3

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKey
NXILIHONWRXHFA-MRVPVSSYSA-N
Compound name
(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2553
Patents

229.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.2
[M+Na]+ 252.12063 159.7
[M+NH4]+ 247.16523 157.4
[M+K]+ 268.09457 157.4
[M-H]- 228.12413 149.9
[M+Na-2H]- 250.10608 153.6
[M]+ 229.13086 152.1
[M]- 229.13196 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe