CID 83694709

1-methyl-4-[(methylamino)methyl]piperidin-2-one dihydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
CNCC1CCN(C(=O)C1)C
InChI
InChI=1S/C8H16N2O/c1-9-6-7-3-4-10(2)8(11)5-7/h7,9H,3-6H2,1-2H3
InChIKey
GKNIDEZVRRCAGV-UHFFFAOYSA-N
Compound name
1-methyl-4-(methylaminomethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 134.9
[M+Na]+ 179.115488 140.9
[M-H]- 155.118994 136.7
[M+NH4]+ 174.160093 154.5
[M+K]+ 195.089428 139.7
[M+H-H2O]+ 139.123530 128.5
[M+HCOO]- 201.124471 155.5
[M+CH3COO]- 215.140121 180.2
[M+Na-2H]- 177.100936 139.5
[M]+ 156.12572142 131.3
[M]- 156.12681858 131.3
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.