CID 1501891

50492-22-3

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC(=O)CCNC1
InChI
InChI=1S/C6H11NO/c8-6-2-1-4-7-5-3-6/h7H,1-5H2
InChIKey
GMHPWGYTSXHHPI-UHFFFAOYSA-N
Compound name
azepan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1090
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.3
[M+Na]+ 136.07328 128.9
[M+NH4]+ 131.11788 128.0
[M+K]+ 152.04722 125.3
[M-H]- 112.07678 120.9
[M+Na-2H]- 134.05873 125.6
[M]+ 113.08351 121.5
[M]- 113.08461 121.5
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