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

234
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 140.7
[M+Na]+ 194.126378 144.4
[M-H]- 170.129884 140.5
[M+NH4]+ 189.170983 157.6
[M+K]+ 210.100318 144.1
[M+H-H2O]+ 154.134420 133.0
[M+HCOO]- 216.135361 158.1
[M+CH3COO]- 230.151011 181.8
[M+Na-2H]- 192.111826 144.3
[M]+ 171.13661142 135.6
[M]- 171.13770858 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