CID 28379242

1-(azepan-1-yl)-2-[(propan-2-yl)amino]ethan-1-one

Structural Information

Molecular Formula
C11H22N2O
SMILES
CC(C)NCC(=O)N1CCCCCC1
InChI
InChI=1S/C11H22N2O/c1-10(2)12-9-11(14)13-7-5-3-4-6-8-13/h10,12H,3-9H2,1-2H3
InChIKey
VUEUCIYETAXEGY-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-2-(propan-2-ylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.17322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.18050 145.2
[M+Na]+ 221.16244 151.5
[M+NH4]+ 216.20704 151.6
[M+K]+ 237.13638 148.3
[M-H]- 197.16594 145.8
[M+Na-2H]- 219.14789 148.7
[M]+ 198.17267 145.9
[M]- 198.17377 145.9
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.