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]+ 156.138286 128.1
[M+Na]+ 178.120228 129.1
[M-H]- 154.123734 132.3
[M+NH4]+ 173.164833 138.0
[M+K]+ 194.094168 134.1
[M+H-H2O]+ 138.128270 117.9
[M+HCOO]- 200.129211 142.8
[M+CH3COO]- 214.144861 178.5
[M+Na-2H]- 176.105676 133.3
[M]+ 155.13046142 127.1
[M]- 155.13155858 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.