CID 16770302

670252-70-7

Structural Information

Molecular Formula
C8H17N3O
SMILES
CN(C)CC(=O)N1CCNCC1
InChI
InChI=1S/C8H17N3O/c1-10(2)7-8(12)11-5-3-9-4-6-11/h9H,3-7H2,1-2H3
InChIKey
JJQYLNCTJNLITN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
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

No literature data available for this compound.

Patent stripe

patents stripe