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]+ 184.16959 140.4
[M+Na]+ 206.15153 140.1
[M-H]- 182.15503 143.7
[M+NH4]+ 201.19613 154.7
[M+K]+ 222.12547 142.6
[M+H-H2O]+ 166.15957 133.0
[M+HCOO]- 228.16051 153.1
[M+CH3COO]- 242.17616 149.6
[M+Na-2H]- 204.13698 143.9
[M]+ 183.16176 127.8
[M]- 183.16286 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.