CID 1268225

189321-65-1

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-16(11(19)20)7-9-18(10-8-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20)
InChIKey
AFEAWYLBSVKOAY-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

344.19473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20201 178.3
[M+Na]+ 367.18395 181.1
[M-H]- 343.18745 178.2
[M+NH4]+ 362.22855 191.4
[M+K]+ 383.15789 182.3
[M+H-H2O]+ 327.19199 173.6
[M+HCOO]- 389.19293 190.4
[M+CH3COO]- 403.20858 208.9
[M+Na-2H]- 365.16940 180.6
[M]+ 344.19418 178.7
[M]- 344.19528 178.7
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