CID 137965673

2168709-72-4

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(=C1)CNC
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-5-6-10(9-14)8-13-4/h9,13H,5-8H2,1-4H3
InChIKey
KFPODGQUXLWHFY-UHFFFAOYSA-N
Compound name
tert-butyl 5-(methylaminomethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.5
[M+Na]+ 249.15734 163.3
[M+NH4]+ 244.20194 161.0
[M+K]+ 265.13128 158.8
[M-H]- 225.16084 154.7
[M+Na-2H]- 247.14279 158.2
[M]+ 226.16757 155.5
[M]- 226.16867 155.5
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

patents stripe