CID 58336264

1-(1,4-oxazepan-4-yl)ethan-1-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(=O)N1CCCOCC1
InChI
InChI=1S/C7H13NO2/c1-7(9)8-3-2-5-10-6-4-8/h2-6H2,1H3
InChIKey
BBFXVZIBSQSSNM-UHFFFAOYSA-N
Compound name
1-(1,4-oxazepan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 123.6
[M+Na]+ 166.083858 127.0
[M-H]- 142.087364 126.8
[M+NH4]+ 161.128463 140.8
[M+K]+ 182.057798 132.2
[M+H-H2O]+ 126.091900 117.5
[M+HCOO]- 188.092841 141.3
[M+CH3COO]- 202.108491 174.6
[M+Na-2H]- 164.069306 129.5
[M]+ 143.09409142 118.0
[M]- 143.09518858 118.0
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

patents stripe