CID 44630610

5-ethyl-1-methylpiperazin-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CCC1CN(C(=O)CN1)C
InChI
InChI=1S/C7H14N2O/c1-3-6-5-9(2)7(10)4-8-6/h6,8H,3-5H2,1-2H3
InChIKey
QLFQFGAIOKXHLN-UHFFFAOYSA-N
Compound name
5-ethyl-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 132.1
[M+Na]+ 165.09983 139.1
[M-H]- 141.10333 131.3
[M+NH4]+ 160.14443 150.6
[M+K]+ 181.07377 137.2
[M+H-H2O]+ 125.10787 125.7
[M+HCOO]- 187.10881 149.3
[M+CH3COO]- 201.12446 172.5
[M+Na-2H]- 163.08528 136.4
[M]+ 142.11006 127.7
[M]- 142.11116 127.7
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.