CID 66733496

1-(4-amino-4-methylpiperidin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(=O)N1CCC(CC1)(C)N
InChI
InChI=1S/C8H16N2O/c1-7(11)10-5-3-8(2,9)4-6-10/h3-6,9H2,1-2H3
InChIKey
CGLOKRRFPVDBEX-UHFFFAOYSA-N
Compound name
1-(4-amino-4-methylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

156.12627 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.3
[M+Na]+ 179.11549 141.2
[M-H]- 155.11899 136.8
[M+NH4]+ 174.16009 156.5
[M+K]+ 195.08943 140.4
[M+H-H2O]+ 139.12353 129.9
[M+HCOO]- 201.12447 154.4
[M+CH3COO]- 215.14012 178.2
[M+Na-2H]- 177.10094 139.5
[M]+ 156.12572 130.0
[M]- 156.12682 130.0
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