CID 82386728

En300-1877897

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(CN)C1CCCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-10(8-14)11-6-5-7-15(9-11)12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKey
FEYUJZJAOPRQJY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-aminopropan-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 161.5
[M+Na]+ 265.18865 164.6
[M-H]- 241.19215 162.1
[M+NH4]+ 260.23325 177.3
[M+K]+ 281.16259 163.8
[M+H-H2O]+ 225.19669 154.9
[M+HCOO]- 287.19763 176.6
[M+CH3COO]- 301.21328 195.8
[M+Na-2H]- 263.17410 161.6
[M]+ 242.19888 157.9
[M]- 242.19998 157.9
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

No patent data available for this compound.