CID 58002045

1-[2-(dimethylamino)ethyl]piperazin-2-one

Structural Information

Molecular Formula
C8H17N3O
SMILES
CN(C)CCN1CCNCC1=O
InChI
InChI=1S/C8H17N3O/c1-10(2)5-6-11-4-3-9-7-8(11)12/h9H,3-7H2,1-2H3
InChIKey
YBSDBDDIAPKFNU-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

171.13716 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 140.2
[M+Na]+ 194.126378 145.0
[M-H]- 170.129884 140.2
[M+NH4]+ 189.170983 157.4
[M+K]+ 210.100318 144.1
[M+H-H2O]+ 154.134420 132.6
[M+HCOO]- 216.135361 158.5
[M+CH3COO]- 230.151011 182.7
[M+Na-2H]- 192.111826 144.3
[M]+ 171.13661142 136.2
[M]- 171.13770858 136.2
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