CID 165738906

2-cyclobutyl-1,4-oxazepane

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC(C1)C2CNCCCO2
InChI
InChI=1S/C9H17NO/c1-3-8(4-1)9-7-10-5-2-6-11-9/h8-10H,1-7H2
InChIKey
NHGXGZYKWIPNRW-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 128.1
[M+Na]+ 178.12023 129.1
[M-H]- 154.12373 132.3
[M+NH4]+ 173.16483 138.0
[M+K]+ 194.09417 134.1
[M+H-H2O]+ 138.12827 117.9
[M+HCOO]- 200.12921 142.8
[M+CH3COO]- 214.14486 178.5
[M+Na-2H]- 176.10568 133.3
[M]+ 155.13046 127.1
[M]- 155.13156 127.1
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.