CID 541650

2-amino-1-(piperazin-1-yl)ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C6H13N3O
SMILES
C1CN(CCN1)C(=O)CN
InChI
InChI=1S/C6H13N3O/c7-5-6(10)9-3-1-8-2-4-9/h8H,1-5,7H2
InChIKey
HICOHQNXBHNIFZ-UHFFFAOYSA-N
Compound name
2-amino-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

143.10587 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.113146 132.6
[M+Na]+ 166.095088 137.0
[M-H]- 142.098594 130.7
[M+NH4]+ 161.139693 149.7
[M+K]+ 182.069028 135.4
[M+H-H2O]+ 126.103130 125.4
[M+HCOO]- 188.104071 149.5
[M+CH3COO]- 202.119721 171.6
[M+Na-2H]- 164.080536 136.9
[M]+ 143.10532142 124.5
[M]- 143.10641858 124.5
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