CID 23081084

1-tert-butyl-2-piperazinone

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)(C)N1CCNCC1=O
InChI
InChI=1S/C8H16N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h9H,4-6H2,1-3H3
InChIKey
TZHWGNAPUMDIQM-UHFFFAOYSA-N
Compound name
1-tert-butylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

156.12627 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 137.4
[M+Na]+ 179.115488 143.6
[M-H]- 155.118994 136.4
[M+NH4]+ 174.160093 155.3
[M+K]+ 195.089428 141.8
[M+H-H2O]+ 139.123530 131.3
[M+HCOO]- 201.124471 152.7
[M+CH3COO]- 215.140121 174.0
[M+Na-2H]- 177.100936 142.6
[M]+ 156.12572142 132.4
[M]- 156.12681858 132.4
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