CID 2758642

N,n-dimethyl-2-(piperazin-1-yl)acetamide

Structural Information

Molecular Formula
C8H17N3O
SMILES
CN(C)C(=O)CN1CCNCC1
InChI
InChI=1S/C8H17N3O/c1-10(2)8(12)7-11-5-3-9-4-6-11/h9H,3-7H2,1-2H3
InChIKey
JJEMPZXXGBIJIX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

507
Patents

171.13716 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 140.7
[M+Na]+ 194.12638 144.4
[M-H]- 170.12988 140.5
[M+NH4]+ 189.17098 157.6
[M+K]+ 210.10032 144.1
[M+H-H2O]+ 154.13442 133.0
[M+HCOO]- 216.13536 158.1
[M+CH3COO]- 230.15101 181.8
[M+Na-2H]- 192.11183 144.3
[M]+ 171.13661 135.6
[M]- 171.13771 135.6
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