CID 122163945

2,2-dimethoxy-1-(piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C8H16N2O3
SMILES
COC(C(=O)N1CCNCC1)OC
InChI
InChI=1S/C8H16N2O3/c1-12-8(13-2)7(11)10-5-3-9-4-6-10/h8-9H,3-6H2,1-2H3
InChIKey
ADJDPVCAPUELNM-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.11609 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 142.9
[M+Na]+ 211.10531 146.9
[M-H]- 187.10881 141.3
[M+NH4]+ 206.14991 158.6
[M+K]+ 227.07925 146.8
[M+H-H2O]+ 171.11335 135.5
[M+HCOO]- 233.11429 158.2
[M+CH3COO]- 247.12994 178.5
[M+Na-2H]- 209.09076 145.7
[M]+ 188.11554 139.6
[M]- 188.11664 139.6
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.