CID 154577614

5,9-dioxaspiro[3.5]nonan-7-amine

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC2(C1)OCC(CO2)N
InChI
InChI=1S/C7H13NO2/c8-6-4-9-7(10-5-6)2-1-3-7/h6H,1-5,8H2
InChIKey
ACQPZYVHOBQVBA-UHFFFAOYSA-N
Compound name
5,9-dioxaspiro[3.5]nonan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 122.6
[M+Na]+ 166.08386 126.8
[M-H]- 142.08736 128.6
[M+NH4]+ 161.12846 136.5
[M+K]+ 182.05780 131.7
[M+H-H2O]+ 126.09190 112.7
[M+HCOO]- 188.09284 140.8
[M+CH3COO]- 202.10849 176.4
[M+Na-2H]- 164.06931 131.7
[M]+ 143.09409 126.8
[M]- 143.09519 126.8
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.