CID 14634315

1,4-dioxaspiro[4.5]decan-8-amine

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC2(CCC1N)OCCO2
InChI
InChI=1S/C8H15NO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6,9H2
InChIKey
KDAFVGCPLFJMHY-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

639
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 132.8
[M+Na]+ 180.09950 137.6
[M-H]- 156.10300 138.3
[M+NH4]+ 175.14410 154.1
[M+K]+ 196.07344 138.6
[M+H-H2O]+ 140.10754 127.7
[M+HCOO]- 202.10848 151.5
[M+CH3COO]- 216.12413 173.9
[M+Na-2H]- 178.08495 139.4
[M]+ 157.10973 126.7
[M]- 157.11083 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe