CID 2756285

701290-61-1

Structural Information

Molecular Formula
C9H17N3O2
SMILES
CC(=O)N1CCN(CC1)C(=O)CCN
InChI
InChI=1S/C9H17N3O2/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10/h2-7,10H2,1H3
InChIKey
ANMSVTXATSIOEY-UHFFFAOYSA-N
Compound name
1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

199.13208 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.13936 147.2
[M+Na]+ 222.12130 151.8
[M-H]- 198.12480 146.7
[M+NH4]+ 217.16590 163.0
[M+K]+ 238.09524 150.7
[M+H-H2O]+ 182.12934 139.6
[M+HCOO]- 244.13028 164.1
[M+CH3COO]- 258.14593 185.9
[M+Na-2H]- 220.10675 148.6
[M]+ 199.13153 142.5
[M]- 199.13263 142.5
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