CID 68857055

Schembl3964472

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)CCCN
InChI
InChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-10-7-14(4,8-11-16)6-5-9-15/h5-11,15H2,1-4H3
InChIKey
RORXMFNDHUAQSA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

256.2151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 164.9
[M+Na]+ 279.20432 168.8
[M-H]- 255.20782 165.6
[M+NH4]+ 274.24892 182.3
[M+K]+ 295.17826 167.6
[M+H-H2O]+ 239.21236 159.1
[M+HCOO]- 301.21330 180.7
[M+CH3COO]- 315.22895 197.5
[M+Na-2H]- 277.18977 167.1
[M]+ 256.21455 162.7
[M]- 256.21565 162.7
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