CID 54773632

3-methyl-3-propylpiperazin-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CCCC1(C(=O)NCCN1)C
InChI
InChI=1S/C8H16N2O/c1-3-4-8(2)7(11)9-5-6-10-8/h10H,3-6H2,1-2H3,(H,9,11)
InChIKey
CAKPCPMHYREPAY-UHFFFAOYSA-N
Compound name
3-methyl-3-propylpiperazin-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]+ 157.13355 137.0
[M+Na]+ 179.11549 143.1
[M-H]- 155.11899 134.6
[M+NH4]+ 174.16009 155.9
[M+K]+ 195.08943 140.3
[M+H-H2O]+ 139.12353 131.2
[M+HCOO]- 201.12447 152.3
[M+CH3COO]- 215.14012 171.4
[M+Na-2H]- 177.10094 142.1
[M]+ 156.12572 130.9
[M]- 156.12682 130.9
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.