CID 167722777

3-oxa-7-azatricyclo[3.3.1.0,1,5]nonane hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
C1C23C1(CNC2)COC3
InChI
InChI=1S/C7H11NO/c1-6-2-8-3-7(1,6)5-9-4-6/h8H,1-5H2
InChIKey
QPCLDSQQVHMISU-UHFFFAOYSA-N
Compound name
3-oxa-7-azatricyclo[3.3.1.01,5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 126.4
[M+Na]+ 148.073278 135.8
[M-H]- 124.076784 132.0
[M+NH4]+ 143.117883 148.1
[M+K]+ 164.047218 135.2
[M+H-H2O]+ 108.081320 121.8
[M+HCOO]- 170.082261 144.9
[M+CH3COO]- 184.097911 140.2
[M+Na-2H]- 146.058726 134.0
[M]+ 125.08351142 125.8
[M]- 125.08460858 125.8
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.