CID 67067

N,n-diethylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C9H19N3O
SMILES
CCN(CC)C(=O)N1CCNCC1
InChI
InChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-7-5-10-6-8-12/h10H,3-8H2,1-2H3
InChIKey
IWJSZNIFIDAYDY-UHFFFAOYSA-N
Compound name
N,N-diethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

185.15282 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 145.5
[M+Na]+ 208.142038 148.8
[M-H]- 184.145544 145.1
[M+NH4]+ 203.186643 161.9
[M+K]+ 224.115978 148.3
[M+H-H2O]+ 168.150080 137.6
[M+HCOO]- 230.151021 162.5
[M+CH3COO]- 244.166671 184.2
[M+Na-2H]- 206.127486 148.6
[M]+ 185.15227142 140.7
[M]- 185.15336858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe