CID 83817283

3-(oxan-4-yl)azepane

Structural Information

Molecular Formula
C11H21NO
SMILES
C1CCNCC(C1)C2CCOCC2
InChI
InChI=1S/C11H21NO/c1-2-6-12-9-11(3-1)10-4-7-13-8-5-10/h10-12H,1-9H2
InChIKey
SUVDCNQDCJXNDX-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 140.4
[M+Na]+ 206.151528 140.1
[M-H]- 182.155034 143.7
[M+NH4]+ 201.196133 154.7
[M+K]+ 222.125468 142.6
[M+H-H2O]+ 166.159570 133.0
[M+HCOO]- 228.160511 153.1
[M+CH3COO]- 242.176161 149.6
[M+Na-2H]- 204.136976 143.9
[M]+ 183.16176142 127.8
[M]- 183.16285858 127.8
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.