CID 28379258

1-(azepan-1-yl)-2-(ethylamino)ethan-1-one

Structural Information

Molecular Formula
C10H20N2O
SMILES
CCNCC(=O)N1CCCCCC1
InChI
InChI=1S/C10H20N2O/c1-2-11-9-10(13)12-7-5-3-4-6-8-12/h11H,2-9H2,1H3
InChIKey
DBTAPKSDRKUCFW-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-2-(ethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 139.6
[M+Na]+ 207.14678 141.0
[M-H]- 183.15028 141.6
[M+NH4]+ 202.19138 156.1
[M+K]+ 223.12072 144.3
[M+H-H2O]+ 167.15482 132.4
[M+HCOO]- 229.15576 157.9
[M+CH3COO]- 243.17141 185.9
[M+Na-2H]- 205.13223 143.2
[M]+ 184.15701 132.4
[M]- 184.15811 132.4
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.