CID 11332526

2028279-42-5

Structural Information

Molecular Formula
C7H14N2O
SMILES
C[C@@H]1CN(CCN1)C(=O)C
InChI
InChI=1S/C7H14N2O/c1-6-5-9(7(2)10)4-3-8-6/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKey
BRAYYCBKNOERRJ-ZCFIWIBFSA-N
Compound name
1-[(3R)-3-methylpiperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

142.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 132.7
[M+Na]+ 165.099828 138.6
[M-H]- 141.103334 131.6
[M+NH4]+ 160.144433 150.9
[M+K]+ 181.073768 137.1
[M+H-H2O]+ 125.107870 126.1
[M+HCOO]- 187.108811 148.9
[M+CH3COO]- 201.124461 171.5
[M+Na-2H]- 163.085276 136.5
[M]+ 142.11006142 127.1
[M]- 142.11115858 127.1
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

patents stripe