CID 84061639

1780130-08-6

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COCCCN
InChI
InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-8-5-12(6-9-16)11-18-10-4-7-15/h12H,4-11,15H2,1-3H3
InChIKey
VZRAYSKAKNMDON-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminopropoxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

272.21 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.217276 169.0
[M+Na]+ 295.199218 171.7
[M-H]- 271.202724 169.2
[M+NH4]+ 290.243823 183.5
[M+K]+ 311.173158 170.8
[M+H-H2O]+ 255.207260 161.8
[M+HCOO]- 317.208201 184.9
[M+CH3COO]- 331.223851 200.0
[M+Na-2H]- 293.184666 169.9
[M]+ 272.20945142 167.8
[M]- 272.21054858 167.8
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

patents stripe