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 143.6
[M+Na]+ 221.16244 144.4
[M-H]- 197.16594 145.6
[M+NH4]+ 216.20704 159.6
[M+K]+ 237.13638 148.1
[M+H-H2O]+ 181.17048 136.4
[M+HCOO]- 243.17142 160.7
[M+CH3COO]- 257.18707 189.5
[M+Na-2H]- 219.14789 145.6
[M]+ 198.17267 136.2
[M]- 198.17377 136.2
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.