CID 112206

3-(dimethylamino)azepan-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CN(C)C1CCCCNC1=O
InChI
InChI=1S/C8H16N2O/c1-10(2)7-5-3-4-6-9-8(7)11/h7H,3-6H2,1-2H3,(H,9,11)
InChIKey
CFZGIDYCUWFUJR-UHFFFAOYSA-N
Compound name
3-(dimethylamino)azepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

229
Patents

156.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 132.3
[M+Na]+ 179.11549 139.8
[M+NH4]+ 174.16009 139.3
[M+K]+ 195.08943 136.7
[M-H]- 155.11899 133.3
[M+Na-2H]- 177.10094 136.7
[M]+ 156.12572 133.3
[M]- 156.12682 133.3
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