CID 67034947

1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C10H19N3O
SMILES
CC(=O)N1CCN(CC1)C2CC(C2)N
InChI
InChI=1S/C10H19N3O/c1-8(14)12-2-4-13(5-3-12)10-6-9(11)7-10/h9-10H,2-7,11H2,1H3
InChIKey
YOZJAEULIFWWNV-UHFFFAOYSA-N
Compound name
1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

197.15282 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.160096 147.8
[M+Na]+ 220.142038 151.0
[M-H]- 196.145544 150.1
[M+NH4]+ 215.186643 157.3
[M+K]+ 236.115978 152.5
[M+H-H2O]+ 180.150080 134.2
[M+HCOO]- 242.151021 163.0
[M+CH3COO]- 256.166671 190.1
[M+Na-2H]- 218.127486 148.5
[M]+ 197.15227142 149.6
[M]- 197.15336858 149.6
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