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

44
Patents

142.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 132.7
[M+Na]+ 165.09983 138.6
[M-H]- 141.10333 131.6
[M+NH4]+ 160.14443 150.9
[M+K]+ 181.07377 137.1
[M+H-H2O]+ 125.10787 126.1
[M+HCOO]- 187.10881 148.9
[M+CH3COO]- 201.12446 171.5
[M+Na-2H]- 163.08528 136.5
[M]+ 142.11006 127.1
[M]- 142.11116 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