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 162.6
[M+Na]+ 264.20463 164.3
[M-H]- 240.20813 164.4
[M+NH4]+ 259.24923 178.4
[M+K]+ 280.17857 164.4
[M+H-H2O]+ 224.21267 155.0
[M+HCOO]- 286.21361 179.6
[M+CH3COO]- 300.22926 204.2
[M+Na-2H]- 262.19008 160.2
[M]+ 241.21486 158.1
[M]- 241.21596 158.1
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.