CID 59765867

5-tert-butylpiperazin-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)(C)C1CNC(=O)CN1
InChI
InChI=1S/C8H16N2O/c1-8(2,3)6-4-10-7(11)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKey
JECVQBOCKVTYIS-UHFFFAOYSA-N
Compound name
5-tert-butylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

156.12627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 138.5
[M+Na]+ 179.11549 144.2
[M-H]- 155.11899 136.0
[M+NH4]+ 174.16009 155.5
[M+K]+ 195.08943 141.5
[M+H-H2O]+ 139.12353 132.6
[M+HCOO]- 201.12447 152.2
[M+CH3COO]- 215.14012 171.4
[M+Na-2H]- 177.10094 143.1
[M]+ 156.12572 131.5
[M]- 156.12682 131.5
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