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]+ 288.14418 162.9
[M+Na]+ 310.12612 167.4
[M-H]- 286.12962 163.2
[M+NH4]+ 305.17072 176.6
[M+K]+ 326.10006 168.0
[M+H-H2O]+ 270.13416 157.1
[M+HCOO]- 332.13510 176.5
[M+CH3COO]- 346.15075 197.4
[M+Na-2H]- 308.11157 162.5
[M]+ 287.13635 163.6
[M]- 287.13745 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