CID 132342302

1,7-dioxaspiro[4.4]nonan-4-amine

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1COC2(C1N)CCOC2
InChI
InChI=1S/C7H13NO2/c8-6-1-3-10-7(6)2-4-9-5-7/h6H,1-5,8H2
InChIKey
SQCXYJVIAWSZLK-UHFFFAOYSA-N
Compound name
1,7-dioxaspiro[4.4]nonan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.4
[M+Na]+ 166.08386 134.4
[M-H]- 142.08736 134.4
[M+NH4]+ 161.12846 152.1
[M+K]+ 182.05780 135.6
[M+H-H2O]+ 126.09190 124.3
[M+HCOO]- 188.09284 149.6
[M+CH3COO]- 202.10849 171.0
[M+Na-2H]- 164.06931 134.3
[M]+ 143.09409 124.2
[M]- 143.09519 124.2
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.