CID 58394817

6-(propan-2-yl)-1,4-oxazepane

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)C1CNCCOC1
InChI
InChI=1S/C8H17NO/c1-7(2)8-5-9-3-4-10-6-8/h7-9H,3-6H2,1-2H3
InChIKey
HVTRAPBQDQZBDU-UHFFFAOYSA-N
Compound name
6-propan-2-yl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 131.3
[M+Na]+ 166.12023 139.4
[M+NH4]+ 161.16483 138.6
[M+K]+ 182.09417 136.3
[M-H]- 142.12373 133.0
[M+Na-2H]- 164.10568 135.2
[M]+ 143.13046 132.7
[M]- 143.13156 132.7
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