CID 25418822

362703-35-3

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)C(=O)OC
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3
InChIKey
HZHZQEZZXBLFHO-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

272.1736 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.180876 164.2
[M+Na]+ 295.162818 168.4
[M-H]- 271.166324 165.2
[M+NH4]+ 290.207423 180.7
[M+K]+ 311.136758 168.7
[M+H-H2O]+ 255.170860 158.6
[M+HCOO]- 317.171801 180.0
[M+CH3COO]- 331.187451 198.1
[M+Na-2H]- 293.148266 166.2
[M]+ 272.17305142 163.2
[M]- 272.17414858 163.2
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