CID 167721477

Tert-butyl 4-(aminomethyl)-4-(2,2-dimethoxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H30N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC(OC)OC)CN
InChI
InChI=1S/C15H30N2O4/c1-14(2,3)21-13(18)17-8-6-15(11-16,7-9-17)10-12(19-4)20-5/h12H,6-11,16H2,1-5H3
InChIKey
MOMUZCJRPCSILS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-4-(2,2-dimethoxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22055 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22783 174.3
[M+Na]+ 325.20977 177.2
[M-H]- 301.21327 174.7
[M+NH4]+ 320.25437 189.5
[M+K]+ 341.18371 177.7
[M+H-H2O]+ 285.21781 168.2
[M+HCOO]- 347.21875 189.2
[M+CH3COO]- 361.23440 205.6
[M+Na-2H]- 323.19522 175.3
[M]+ 302.22000 174.8
[M]- 302.22110 174.8
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.