CID 97170

6-butyl-8-oxa-6-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C10H19NO
SMILES
CCCCN1CC2CCCC1O2
InChI
InChI=1S/C10H19NO/c1-2-3-7-11-8-9-5-4-6-10(11)12-9/h9-10H,2-8H2,1H3
InChIKey
WJWITLCTPIHCFZ-UHFFFAOYSA-N
Compound name
6-butyl-8-oxa-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 139.3
[M+Na]+ 192.135888 144.9
[M-H]- 168.139394 140.4
[M+NH4]+ 187.180493 160.6
[M+K]+ 208.109828 144.2
[M+H-H2O]+ 152.143930 133.5
[M+HCOO]- 214.144871 156.1
[M+CH3COO]- 228.160521 180.2
[M+Na-2H]- 190.121336 144.6
[M]+ 169.14612142 138.1
[M]- 169.14721858 138.1
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.