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

7
Patents

197.15282 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 147.8
[M+Na]+ 220.14204 151.0
[M-H]- 196.14554 150.1
[M+NH4]+ 215.18664 157.3
[M+K]+ 236.11598 152.5
[M+H-H2O]+ 180.15008 134.2
[M+HCOO]- 242.15102 163.0
[M+CH3COO]- 256.16667 190.1
[M+Na-2H]- 218.12749 148.5
[M]+ 197.15227 149.6
[M]- 197.15337 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