CID 84061639

Schembl21997726

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

22
Patents

272.21 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 169.0
[M+Na]+ 295.19922 171.7
[M-H]- 271.20272 169.2
[M+NH4]+ 290.24382 183.5
[M+K]+ 311.17316 170.8
[M+H-H2O]+ 255.20726 161.8
[M+HCOO]- 317.20820 184.9
[M+CH3COO]- 331.22385 200.0
[M+Na-2H]- 293.18467 169.9
[M]+ 272.20945 167.8
[M]- 272.21055 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