CID 66568038

1354027-27-2

Structural Information

Molecular Formula
C13H27N3O
SMILES
CC(C)[C@@H](C(=O)N1CCCC(C1)CN(C)C)N
InChI
InChI=1S/C13H27N3O/c1-10(2)12(14)13(17)16-7-5-6-11(9-16)8-15(3)4/h10-12H,5-9,14H2,1-4H3/t11?,12-/m0/s1
InChIKey
FHTGPUYNVHQKRN-KIYNQFGBSA-N
Compound name
(2S)-2-amino-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.21541 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.22269 161.1
[M+Na]+ 264.20463 167.4
[M+NH4]+ 259.24923 167.4
[M+K]+ 280.17857 163.9
[M-H]- 240.20813 162.1
[M+Na-2H]- 262.19008 162.8
[M]+ 241.21486 161.7
[M]- 241.21596 161.7
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

No patent data available for this compound.