CID 86812210

N-(azepan-4-yl)-n-cyclobutylacetamide

Structural Information

Molecular Formula
C12H22N2O
SMILES
CC(=O)N(C1CCC1)C2CCCNCC2
InChI
InChI=1S/C12H22N2O/c1-10(15)14(11-4-2-5-11)12-6-3-8-13-9-7-12/h11-13H,2-9H2,1H3
InChIKey
WGOYOQVDTMEVLJ-UHFFFAOYSA-N
Compound name
N-(azepan-4-yl)-N-cyclobutylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.180496 149.4
[M+Na]+ 233.162438 148.4
[M-H]- 209.165944 153.8
[M+NH4]+ 228.207043 158.4
[M+K]+ 249.136378 153.5
[M+H-H2O]+ 193.170480 137.4
[M+HCOO]- 255.171421 164.4
[M+CH3COO]- 269.187071 193.7
[M+Na-2H]- 231.147886 150.1
[M]+ 210.17267142 147.8
[M]- 210.17376858 147.8
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

No patent data available for this compound.