CID 19420460

160687-49-0

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)CCCN
InChI
InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11-5-9-16(10-6-11)8-4-7-14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKey
YFPIXUUBLIJFGG-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 165.0
[M+Na]+ 280.19955 167.5
[M-H]- 256.20305 165.4
[M+NH4]+ 275.24415 179.8
[M+K]+ 296.17349 166.2
[M+H-H2O]+ 240.20759 157.8
[M+HCOO]- 302.20853 182.1
[M+CH3COO]- 316.22418 200.1
[M+Na-2H]- 278.18500 166.7
[M]+ 257.20978 161.3
[M]- 257.21088 161.3
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