CID 55263051

1,4-dioxaspiro[4.4]nonan-2-ylmethanamine

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCC2(C1)OCC(O2)CN
InChI
InChI=1S/C8H15NO2/c9-5-7-6-10-8(11-7)3-1-2-4-8/h7H,1-6,9H2
InChIKey
ZOLMPZZVRYBREN-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 133.0
[M+Na]+ 180.09950 138.6
[M-H]- 156.10300 138.8
[M+NH4]+ 175.14410 156.1
[M+K]+ 196.07344 139.6
[M+H-H2O]+ 140.10754 128.8
[M+HCOO]- 202.10848 153.8
[M+CH3COO]- 216.12413 174.0
[M+Na-2H]- 178.08495 138.4
[M]+ 157.10973 129.1
[M]- 157.11083 129.1
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.