CID 122163878

1955499-13-4

Structural Information

Molecular Formula
C16H27NO6
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@@H](CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C16H27NO6/c1-15(2,3)22-13(20)11-9-10(12(18)19)7-8-17(11)14(21)23-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,18,19)/t10-,11+/m1/s1
InChIKey
GPAAMZCGXUULTF-MNOVXSKESA-N
Compound name
(2S,4R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.18384 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19112 174.3
[M+Na]+ 352.17306 178.0
[M-H]- 328.17656 174.4
[M+NH4]+ 347.21766 186.5
[M+K]+ 368.14700 178.6
[M+H-H2O]+ 312.18110 168.9
[M+HCOO]- 374.18204 185.4
[M+CH3COO]- 388.19769 206.1
[M+Na-2H]- 350.15851 173.9
[M]+ 329.18329 175.5
[M]- 329.18439 175.5
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

No patent data available for this compound.