CID 46835695

Tert-butyl 4-(2-(methylamino)ethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCNC
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-6-11(7-10-15)5-8-14-4/h11,14H,5-10H2,1-4H3
InChIKey
PAWONGOVVNXTDP-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

242.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 161.3
[M+Na]+ 265.18865 164.6
[M-H]- 241.19215 162.3
[M+NH4]+ 260.23325 177.4
[M+K]+ 281.16259 163.7
[M+H-H2O]+ 225.19669 154.5
[M+HCOO]- 287.19763 178.0
[M+CH3COO]- 301.21328 195.5
[M+Na-2H]- 263.17410 163.6
[M]+ 242.19888 159.4
[M]- 242.19998 159.4
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