CID 4186202

N-acetylhomopiperazine

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC(=O)N1CCCNCC1
InChI
InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
InChIKey
TWJPZMYNUBAUGA-UHFFFAOYSA-N
Compound name
1-(1,4-diazepan-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

947
Patents

142.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 126.8
[M+Na]+ 165.09983 129.9
[M-H]- 141.10333 126.6
[M+NH4]+ 160.14443 143.3
[M+K]+ 181.07377 132.9
[M+H-H2O]+ 125.10787 119.5
[M+HCOO]- 187.10881 142.4
[M+CH3COO]- 201.12446 172.9
[M+Na-2H]- 163.08528 131.2
[M]+ 142.11006 118.0
[M]- 142.11116 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe