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 155.2
[M+Na]+ 249.15734 160.0
[M-H]- 225.16084 156.8
[M+NH4]+ 244.20194 172.0
[M+K]+ 265.13128 159.0
[M+H-H2O]+ 209.16538 148.5
[M+HCOO]- 271.16632 173.7
[M+CH3COO]- 285.18197 192.1
[M+Na-2H]- 247.14279 159.0
[M]+ 226.16757 154.3
[M]- 226.16867 154.3
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