CID 45790959

1095010-47-1

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)OC
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8-9,14H,5-7H2,1-4H3
InChIKey
DFZMPKMSTNKZKL-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 5-hydroxypiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

259.14197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.7
[M+Na]+ 282.13119 163.7
[M-H]- 258.13469 159.1
[M+NH4]+ 277.17579 173.8
[M+K]+ 298.10513 163.8
[M+H-H2O]+ 242.13923 152.9
[M+HCOO]- 304.14017 173.1
[M+CH3COO]- 318.15582 192.0
[M+Na-2H]- 280.11664 159.5
[M]+ 259.14142 158.7
[M]- 259.14252 158.7
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