CID 11358159

191544-72-6

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H](C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-6-8(10(15)16)5-9(7-14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m0/s1
InChIKey
DYLHJFCOKNLATM-DTWKUNHWSA-N
Compound name
(3S,5R)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

287.1369 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.144176 162.9
[M+Na]+ 310.126118 167.4
[M-H]- 286.129624 163.2
[M+NH4]+ 305.170723 176.6
[M+K]+ 326.100058 168.0
[M+H-H2O]+ 270.134160 157.1
[M+HCOO]- 332.135101 176.5
[M+CH3COO]- 346.150751 197.4
[M+Na-2H]- 308.111566 162.5
[M]+ 287.13635142 163.6
[M]- 287.13744858 163.6
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